Drug Information

Drug General Information

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Drug ID

D0ZW4W

Former ID

DIB018067

Drug Name

(+)-JQ1

Synonyms

1268524-70-4; (+)-JQ-1; JQ1 compound; (+)-JQ1; JQ-1; UNII-1MRH0IMX0W; (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; (S)-JQ1; 1MRH0IMX0W; JQ1; CHEMBL1957266; AK109409; (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate; (S)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3

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Drug Type

Small molecular drug

Indication

Testicular cancer [ICD-11: 2C80]

Phase 1

[1]

Structure

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2D MOL

Formula

C23H25ClN4O2S

Canonical SMILES

CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C

InChI

1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1

InChIKey

DNVXATUJJDPFDM-KRWDZBQOSA-N

CAS Number

CAS 1268524-70-4

PubChem Compound ID

46907787

PubChem Substance ID

99368178, 99368272, 104546758, 124361929, 124361931, 136380902, 136942413, 136969324, 137275912, 152258427, 160647263, 162109063, 163591148, 163632433, 164178323, 170483345, 170485027, 172441315, 172914699, 176245452, 184828707, 187051813, 198989400, 218907352, 223218678, 223391403, 223622031, 223705189, 225382496, 227149564, 249730472, 249855985, 250214062, 252071659, 252158115, 252160630, 252214001, 252445114

ChEBI ID

CHEBI:95080

Target and Pathway

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Target(s)

Bromodomain and extraterminal domain protein (BET)

Target Info

Inhibitor

[1]

Bromodomain testis-specific protein (BRDT)

Target Info

Inhibitor