MetaADEDB: Drug

MetaADEDB 2.0 @ LMMD

Lithocholic Acid

(SMEROWZSTRWXGI-HVATVPOCSA-N)

Structure

SMILES: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C
Molecular Formula:: C24H40O3
Molecular Weight:: 376.573
Log P:: 5.5071
Hydrogen Bond Acceptor:: 3
Hydrogen Bond Donor:: 2
TPSA:: 57.53
CAS Number(s):: 434-13-9

Synonym(s)

Lithocholic Acid

Lithocholate

Isolithocholic Acid

Acid, Isolithocholic

Acid, Lithocholic

External Link(s)

MeSH	D008095
PubChem Compound	9903
BindingDB	50236238
ChEBI	16325
CHEMBL	CHEMBL1478
IUPHAR/BPS Guide to PHARMACOLOGY	611
KEGG	cpd:C03990
Therapeutic Target Database	D04SLF D0K9CR
ZINC	3918156

Adverse Drug Event(s)

	Name	Reference(s)	Data Source
1	Birth Weight	2048044	CTD
2	Chemical and Drug Induced Liver Injury	View details 1641875 12875239 14681232 14742670 16864508 17256725 17651726 17724089 19196849 19433268 19797606 20359477 21747115 22982774 24742700 29794447	CTD
3	Cholangitis	16436656	CTD
4	Cholestasis	View details 842535 1641872 19965603 20977460 21480330 22982774 24742700 26325587 29794447	CTD
5	Colonic Neoplasms	16484501	CTD
6	Diabetes Mellitus, Experimental	19900495	CTD
7	Fatty Liver	22982774	CTD
8	Fetal Weight	2048044	CTD
9	Hyperplasia	8095246	CTD
10	Liver Cirrhosis	16436656	CTD
11	Necrosis	22982774 24742700	CTD
12	Neoplasm Metastasis	21224350	CTD
13	Precancerous Conditions	1974829 8095246	CTD
14	Prenatal Exposure Delayed Effects	2048044	CTD

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