ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL272621
CHEMBL272621
Compound Name HYODEOXYCHOLIC_ACID
ChEMBL Synonyms HDCA
Max Phase 0
Trade Names
Molecular Formula C24H40O4

Additional synonyms for CHEMBL272621 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)2 ...
Download InChI
Standard InChI Key DGABKXLVXPYZII-SIBKNCMHSA-N

Structural Alerts

There are no structural alerts for CHEMBL272621

Alternate Forms of Compound in ChEMBL


CHEMBL272621

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
392.6 392.2927 4.01 4 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 5.05 2.44 0 28 0.68

Compound Cross References

ChemSpider ChemSpider:DGABKXLVXPYZII-SIBKNCMHSA-N
Wikipedia Hyodeoxycholic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL272621



BindinDB 50375596
ChEBI 52023
eMolecules 29700099 36516806
FDA SRS 7A33Y6EHYK
IBM Patent System D5E7B6EEDCC7A01C33B06F57BED36F71
IBM Patents EP0987123B1 US7316813 US4186143 US20080213198 US20080193541 WO2007011171A1 US4460509 WO1998008868A1 US20050222006 WO2005089808A2 WO2002059375A2 US4880832 EP1392713B1 US20050199057 US20090280438 US7144877 EP2214478A1 EP0034368A2 US20090062907 US20060183928 US20050089555 US20040171811 US5763430 US5122127 EP1214054B1 US6262269 US20090105461 EP1407008B1 US20040005307 US6248692 EP1381344A2 US7067326 US20100098766 US20080260709 WO2009052421A1 EP1926474A1 WO2009064458A2 US4079133 US20070237788 US7355010 US4226770 EP0923734A1 EP0281463A2 US4252730 WO1999061481A1 US20020026077 US6277826 EP1067112A2 WO1998027106A1 US20080064888 US5855908 US5994336 WO2007096906A2 US20040022808 EP2134320A1 US4917898 US7303768 EP1206939B1 WO2004060262A2 WO2002087597A1 US6831066 US20070238151 EP1819318A1 US20050026831 US7101544 US6017465 WO2006127008A1 US4171352 WO2006125765A3 EP1776161A1 EP0676410B1 US7078396 WO2008033142A1 WO2003041735A2 US6544972 WO2003044040A2 WO2003039480A2 EP1878424A2 US20050201946 EP2214677A2 US20050239712 WO2002044324A2 US20100221284 WO2001058470A2 US20100158953 EP1301212A1 US20090137454 WO1996028471A1 WO1991003236A1 EP0491778B1 US20050137128 EP2219081A2 US20030134824 US20040253245 WO2008110510A1 US6143895 WO1999007325A1 US5834453 EP1261574A2 EP1789057A2
MolPort MolPort-016-633-329
Nikkaji J4.636A
PubChem 5283820
PubChem: Thomson Pharma 16002860
Selleck Hyodeoxycholic-acid(HDCA)
SureChEMBL SCHEMBL207643

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DGABKXLVXPYZII-SIBKNCMHSA-N spacer
spacer