Target Poor or Non Binder(s) Information

Target General Information

Target ID

T46814

Target Info

Target Name

Liver organic anion transporter 1 (SLCO1B1)

Synonyms

Solute carrier organic anion transporter family member 1B1; Solute carrier family 21 member 6; Sodium-independent organic anion-transporting polypeptide 2; SLC21A6; OATPC; OATP2; OATP-C; OATP-2; Liver-specific organic anion transporter 1; LST1; LST-1

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Target Type

Literature-reported Target

Gene Name

SLCO1B1

Biochemical Class

Organo anion transporter

UniProt ID

Q9Y6L6

Poor Binders of This Target (in total, 9 binders)

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Compound Name

Verapamil

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Approved

Compound Info

Synonyms

Arpamyl; Calan; Calcan; Cordilox; Dexverapamil; Dilacoran; Drosteakard; Iproveratril; Isoptimo; Isoptin; Isotopin; Vasolan; Veracim; Verapamilo; Verapamilum; Veraptin; Verexamil; Bosoptin (TN); Calan (TN); D-365; Isoptin (TN); Verapamilo [INN-Spanish]; Verapamilum [INN-Latin]; Verelan (TN); CP-16533-1; Covera-HS (TN); Verapamil (USAN/INN); Verapamil [USAN:BAN:INN]; Verapamil [USAN:INN:BAN]; Alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; (+-)-Verapamil; (+/-)-VERAPAMIL; (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile; 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; Verapamil (Na-Ca chanel blocker)

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Activity

Ki = 52000 nM

[1]

Compound Name

Dolutegravir

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Approved

Compound Info

Synonyms

1051375-16-6; GSK1349572; Tivicay; S/GSK1349572; Dolutegravir (GSK1349572); S-349572; GSK-1349572; GSK 1349572; UNII-DKO1W9H7M1; (4r,12as)-N-(2,4-Difluorobenzyl)-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,6,8,12,12a-Hexahydro-2h-Pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-Carboxamide; CHEBI:76010; DKO1W9H7M1; Tivicay (TN); (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide; Dolutegravir Sodium (

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Activity

IC50 ~ 100000 nM

[2]

Compound Name

Linagliptin

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Approved

Compound Info

Synonyms

Ondero; BI 1356; BI-1356; Ondero (TN); BI-1356-BS; (R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione

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Activity

IC50 ~ 100000 nM

[3]

Compound Name

Gemfibrozil

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Approved

Compound Info

Synonyms

ApoGemfibrozil; Ausgem; Bolutol; Brozil; Cholespid; Clearol; Decrelip; Elmogan; Fetinor; Fibratol; Fibrocit; GFZ; Gemd; Gemfibril; Gemfibromax; Gemfibrosil; Gemfibrozilo; Gemfibrozilum; Gemhexal; Gemlipid; Gemnpid; GenGemfibrozil; Genlip; Gozid; Hidil; Hipolixan; Innogem; Innogen; Ipolipid; Jezil; Lanaterom; Lifibron; Lipazil; Lipigem; Lipira; Lipizyl; Lipozid; Lipur; Litarek; Lopid; Micolip; Normolip; NuGemfibrozil; Pilder; Polyxit; Progemzal; Reducel; Regulip; Renabrazin; Sinelip; Synbrozil; Taborcil; Tentroc; Trialmin; Alphapharm Brand of Gemfibrozil; Apo Gemfibrozil; Apotex Brand of Gemfibrozil; Bayvit Brand of Gemfibrozil; Bexal Brand of Gemfibrozil; Biochemie Brand of Gemfibrozil; Bull Brand of Gemfibrozil; Cantabria Brand of Gemfibrozil; Chem mart Brand of Gemfibrozil; Chem mart Gemfibrozil; DBL Gemfibrozil; Douglas Brand of Gemfibrozil; Farmasierra Brand of Gemfibrozil; Faulding Brand of Gemfibrozil;Ferrer Brand of Gemfibrozil; Gemfibrozilo Bayvit; Gemfibrozilo Bexal; Gemfibrozilo Ur; Gen Gemfibrozil; GenRX Gemfibrozil; Genpharm Brand of Gemfibrozil; Gevilon Uno; Healthsense Brand of Gemfibrozil; Healthsense Gemfibrozil; Hexal Brand of Gemfibrozil; Ipsen Brand of Gemfibrozil; Lipox Gemfi; Lopid R; Menarini Brand of Gemfibrozil; Novo Gemfibrozil; Novopharm Brand of Gemfibrozil; Nu Gemfibrozil; Nu Pharm Brand of Gemfibrozil; PMS Gemfibrozil; Parke Davis Brand of Gemfibrozil; Pfizer Brand of Gemfibrozil; Pharmascience Brand of Gemfibrozil; Quimifar Brand of Gemfibrozil; SBPA Gemfibrozil; Sigma Brand of Gemfibrozil; TAD Brand of Gemfibrozil; Terry White Chemists Brand of Gemfibrozil; Terry White Chemists Gemfibrozil; United Drug Brand of Gemfibrozil; Warner Lambert Brand of Gemfibrozil; CI719; Gemfi 1A Pharma; Apo-Gemfibrozil; Bayvit, Gemfibrozilo; Gem-S; Gemfibrozil, GenRX; Gemfibrozil, Healthsense; Gemfibrozil, SBPA; Gemfibrozilo [INN-Spanish]; Gemfibrozilum [INN-Latin]; Gen-Fibro;Gen-Gemfibrozil; Jezil (TN); Lopid (TN); Low-Lip; Novo-Gemfibrozil; Nu-Gemfibrozil; Nu-Pharm Brand of Gemfibrozil; PMS-Gemfibrozil; TEVA-A; WL-Gemfibrozil; Warner-Lambert Brand of Gemfibrozil; GEMFIBROZIL (SEE ALSO PEROXISOME PROJECT (GEMFIBROZIL)); Gemfibrozil [USAN:BAN:INN]; Gen-Fibro (TN); PEROXISOME PROJECT (GEMFIBROZIL) (SEE ALSO GEMFIBROZIL); Gemfibrozil (JAN/USP/INN); Gemcor, Lopid, Jezil,Gen-Fibro, Gemfibrozil; 1A Brand of Gemfibrozil; 2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid; 2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure; 2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure; 2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid; 5-(2,5-Dimethyl-Phenoxy)-2,2-Dimethyl-Pentanoic Acid; 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid; 5-[(2,5-dimethylphenyl)oxy]-2,2-dimethylpentanoic acid

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Activity

IC50 = 130000 nM

[1]

Compound Name

Doxorubicin

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Approved

Compound Info

Synonyms

doxorubicin; 23214-92-8; Doxil; Doxorubicine; Adriablastin; Doxorubicinum; 14-Hydroxydaunomycin; 14-Hydroxydaunorubicine; Doxorubicina; Adriamycin semiquinone; Doxorubicinum [INN-Latin]; Doxorubicine [INN-French]; Doxorubicina [INN-Spanish]; Myocet; FI 106; Doxorubicin [USAN:INN:BAN]; CCRIS 739; NDC 38242-874; HSDB 3070; UNII-80168379AG; NCI-C01514; EINECS 245-495-6; CHEMBL53463; CHEBI:28748; 5,12-Naphthacenedione,; ADM; ADR; ThermoDox; Aerosolized Doxorubicin; Doxorubicin citrate; RDF Rubex; Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74; DM2; JT9100000; Adiblastine (hydrochloride salt); Adr iablatina (hydrochloride salt); Adriablastine (hydrochloride salt); Adriablatina (hydrochloride salt); Adriacin (hydrochloride salt); Adriamycin PFS (TN); Adriamycin PFS (hydrochloride salt); Adriamycin RDF (TN); Adriamycin RDF (hydrochloride salt); Adriblastina (TN); Adriblastina (hydrochloride salt); Adriblatina (hydrochloride salt); Caelyx (TN); Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120; DOX-SL; Doxorubicin hydrochloride (hydrochloride salt); Doxorubicin-hLL1; Doxorubicin-hLL1 conjugate; Farmablastina (hydrochloride salt); Hydroxydaunomycin hydrochlor ide (hydrochloride salt); Hydroxydaunomycin hydrochloride (hydrochloride salt); Hydroxydaunorubicin hydrochloride (hydrochloride salt); Myocet (TN); Rubex (TN); Rubex (hydrochloride salt); TLC D-99; Doxorubicin (USAN/INN); Doxorubicin-P4/D10; Doxorubicin-P4/D10 conjugate; Cantide + adriamycin

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Activity

Ki = 150000 nM

[4]

Compound Name

3-{[(Furan-2-yl)methyl]amino}pyridine-4-carboxylic acid

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Investigative

Compound Info

Synonyms

CHEMBL3775237; SCHEMBL18247811; BDBM50153318; ZINC84485360; AKOS020330651; DA-24905; FT-0742285; J3.601.418K; 3-(2-Furanylmethylamino)pyridine-4-carboxylic acid; 3-(furan-2-ylmethylamino)pyridine-4-carboxylic acid; 4-Pyridinecarboxylic acid, 3-[(2-furanylmethyl)amino]-; Z2472763062

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Activity

IC50 ~ 50000 nM

[5]

Compound Name

2-[(2-Furylmethyl)amino]nicotinic acid

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Investigative

Compound Info

Synonyms

CHEMBL3774615; 2-((Furan-2-ylmethyl)amino)nicotinic acid; CTK7I9832; BDBM50153320; ZINC19770003; AKOS000213891

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Activity

IC50 ~ 50000 nM

[5]

Compound Name

2-[(3-Methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid

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Investigative

Compound Info

Synonyms

CHEMBL3774435; BDBM50153321

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Activity

IC50 ~ 50000 nM

[5]

Compound Name

Chembl4288001

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Investigative

Compound Info

Synonyms

BDBM50466485

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Activity

IC50 ~ 100000 nM

[6]

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References

Top

REF 1

The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery. Drug Metab Dispos. 2012 Aug;40(8):1641-8.

REF 2

In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug interactions of dolutegravir, a HIV integrase inhibitor. Drug Metab Dispos. 2013 Feb;41(2):353-61.

REF 3

Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods. Drug Metab Dispos. 2013 Jan;41(1):149-58.

REF 4

Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions. J Med Chem. 2012 May 24;55(10):4740-63.

REF 5

Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-pyridine Carboxylate Derivatives. J Med Chem. 2016 Feb 25;59(4):1357-69.

REF 6

Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles. Bioorg Med Chem. 2018 Dec 1;26(22):5780-5791.

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