Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

378294 - Overview - Compound Synopsis

Synonyms
ATX-101DEOXYCHOLIC ACID
DHODXC
DeoxycholateDeoxycholic Acid
Molecular Formula
C24H40O4
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
Smiles
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
Cross References
UniChem75700
canSAR378294
PDBe (Protein Data Bank Europe)DXC
ChEMBLCHEMBL406393
BindingDB50375599
PDBe (Protein Data Bank Europe)DHO
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 392.292659764.47793468Yes


Compounds with the same scaffold


Image of compound ID: 378294
Murko Scaffold Family: 11813 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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