Drug Information

Drug General Information

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Drug ID

D0X3GG

Former ID

DNC001226

Drug Name

Ro48-8071

Synonyms

[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone; Ro 48-8071; 161582-11-2; Ro-48-8071; [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone; CHEMBL304858; R048-8071; R71; 1gsz; (4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone; C23H27BRFNO2; {4-[6-(Allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl}-(4-bromo-phenyl)-methanone; (4-((6-(Allyl(methyl)amino)hexyl)oxy)-2-fluorophenyl)(4-bromophenyl)methanone; [4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl]-(4-bromo-phenyl)-methanone

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Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1]

Structure

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2D MOL

3D MOL

Formula

C23H27BrFNO2

Canonical SMILES

CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C

InChI

1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3

InChIKey

CMYCCJYVZIMDFU-UHFFFAOYSA-N

CAS Number

CAS 161582-11-2

PubChem Compound ID

1949

PubChem Substance ID

584646, 801029, 5093993, 7890198, 8151349, 14784042, 29217636, 29221138, 46392034, 46505901, 76909598, 103066452, 103085819, 103258570, 104019858, 104299174, 117562407, 124893195, 125335089, 127341399, 127341400, 127648586, 135083264, 135246949, 135653432, 137255282, 140690287, 160965238, 162808377, 178103321, 179349273, 204360705, 225045161, 229670811, 252457668, 252480743, 252815121

ChEBI ID

CHEBI:101064

Target and Pathway

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Target(s)

Lanosterol synthase (LSS)

Target Info

Inhibitor

[1], [2]

BioCyc

Cholesterol biosynthesis II (via 24,25-dihydrolanosterol)

Cholesterol biosynthesis III (via desmosterol)