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Details

Stereochemistry ACHIRAL
Molecular Formula C28H29ClN2O3S
Molecular Weight 509.059
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-779788

SMILES

CC(C)(O)C1=CN(C(=N1)C(C)(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=CC(=C4)S(C)(=O)=O

InChI

InChIKey=JLPURTXCSILYLW-UHFFFAOYSA-N
InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P55055
Gene ID: 7376.0
Gene Symbol: NR1H2
Target Organism: Homo sapiens (Human)
Name Type Language
BMS-779788
Common Name English
BMS 788
Code English
XL-014
Code English
2-(1-(2-CHLOROPHENYL)-1-METHYLETHYL)-.ALPHA.,.ALPHA.-DIMETHYL-1-(3'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOLE-4-METHANOL
Systematic Name English
EXEL 04286652
Code English
EXEL-04286652
Code English
XL 652
Code English
1H-IMIDAZOLE-4-METHANOL, 2-(1-(2-CHLOROPHENYL)-1-METHYLETHYL)-.ALPHA.,.ALPHA.-DIMETHYL-1-(3'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
FB7ZTJ8M8A
Created by admin on Sat Dec 16 05:12:11 GMT 2023 , Edited by admin on Sat Dec 16 05:12:11 GMT 2023
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MANUFACTURER PRODUCT INFORMATION
BMS-779788
Created by admin on Sat Dec 16 05:12:11 GMT 2023 , Edited by admin on Sat Dec 16 05:12:11 GMT 2023
PRIMARY MedKoo CAT NO: 522686; CAS NO: 918348-67-1; Description: BMS-779788, also known as XL-652, EXEL 04286652 and BMS-788, is potent partial LXR agonist with LXR.BETA. selectivity, which has an improved therapeutic window in the cynomolgus monkey compared with a full pan agonist. BMS-779788 induced LXR target genes in blood in vivo with an EC50 = 610 nM, a value similar to its in vitro blood gene induction potency. BMS-779788 was 29- and 12-fold less potent than the full agonist T0901317 in elevating plasma triglyceride and LDL cholesterol, respectively, with similar results for plasma cholesteryl ester transfer protein and apolipoprotein B. (last updated: 4/4/2016).
PUBCHEM
59251511
Created by admin on Sat Dec 16 05:12:11 GMT 2023 , Edited by admin on Sat Dec 16 05:12:11 GMT 2023
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CAS
918348-67-1
Created by admin on Sat Dec 16 05:12:11 GMT 2023 , Edited by admin on Sat Dec 16 05:12:11 GMT 2023
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ChEMBL
CHEMBL3545418
Created by admin on Sat Dec 16 05:12:11 GMT 2023 , Edited by admin on Sat Dec 16 05:12:11 GMT 2023
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