Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DM7OKQV)

Drug Name

Cholic Acid Drug Info

Synonyms

cholic acid; 81-25-4; Cholalic acid; cholate; Cholalin; Colalin; Cholsaeure; NSC-6135; Cholic acid, 5beta-; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid; UNII-G1JO7801AE; HSDB 982; (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; Cholic acid [USAN]; 3,7,12-Trihydroxycholanic acid; G1JO7801AE; CHEMBL205596; CHEBI:16359; NSC6135; BHQCQFFYRZLCQQ-OELDTZBJSA-N

Indication

Disease Entry	ICD 11	Status	REF
Cholelithiasis	DC11	Approved	[1]
Peroxisomal disorder	5C57	Approved	[2]
Synthesis disorder	5C52-5C59	Approved	[2]

Cross-matching ID

PubChem CID: 221493
ChEBI ID: CHEBI:16359
CAS Number: CAS 81-25-4
TTD Drug ID: DM7OKQV
VARIDT Drug ID: DR00657
INTEDE Drug ID: DR0314
ACDINA Drug ID: D00943

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ferrochelatase (FECH)	TTQ6VF4	HEMH_HUMAN	Inhibitor	[3]
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[3]
Phospholipase A2 (PLA2G1B)	TT9V5JH	PA21B_HUMAN	Inhibitor	[3]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	Highest Status	REF
Apical sodium-dependent bile acid transporter (SLC10A2)	DT7JELC	NTCP2_HUMAN	Approved	[4]
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Approved	[5]
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Approved	[6]
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTE2B1D	SO1A2_HUMAN	Approved	[7]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Approved	[8]
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DT3D8F0	SO1B1_HUMAN	Approved	[9]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Sulfotransferase 1A1 (SULT1A1)	DEYWLRK	ST1A1_HUMAN	Approved	[10]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Liver carboxylesterase (CES1)	DTT	CES1	12.04	6.525	5.311	5.909
Phospholipase A2 (PLA2G1B)	DTT	PLA2G1B	5.385	3.733	4.178	5.278
Breast cancer resistance protein (ABCG2)	DTP	BCRP	6.732	7.513	6.326	9.277
Multidrug resistance-associated protein 2 (ABCC2)	DTP	MRP2	7.751	4.17	6.425	6.282
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTP	OATP1A2	4.365	4.466	3.248	2.632
Multidrug resistance-associated protein 4 (ABCC4)	DTP	MRP4	4.797	7.054	6.875	5.42
Apical sodium-dependent bile acid transporter (SLC10A2)	DTP	ASBT	5.752	5.641	5.904	6.506
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DTP	OATP1B1	9.79	0.485	3.511	2.07
Sulfotransferase 1A1 (SULT1A1)	DME	SULT1A1	9.814	9.348	7.196	10.468

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Cholelithiasis

ICD Disease Classification

DC11

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Liver carboxylesterase (CES1)	DTT	CES1	3.82E-08	1.86	1.9
Breast cancer resistance protein (ABCG2)	DTP	BCRP	2.28E-08	-3.66E-01	-8.07E-01
Multidrug resistance-associated protein 2 (ABCC2)	DTP	MRP2	4.30E-02	-2.29E-01	-9.10E-01
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTP	OATP1A2	7.28E-02	-7.13E-02	-4.55E-01
Multidrug resistance-associated protein 4 (ABCC4)	DTP	MRP4	1.52E-01	4.56E-01	8.84E-01
Apical sodium-dependent bile acid transporter (SLC10A2)	DTP	ASBT	4.03E-01	-2.62E-02	-1.26E-01
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DTP	OATP1B1	3.27E-01	-5.78E-02	-3.84E-01
Sulfotransferase 1A1 (SULT1A1)	DME	SULT1A1	1.61E-12	1.01E+00	1.51E+00

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	Cholic acid FDA Label
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 609).
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter. Am J Physiol. 1998 Jan;274(1):G157-69.
5	Multiple pathways for fluoroquinolone secretion by human intestinal epithelial (Caco-2) cells. Br J Pharmacol. 2002 Mar;135(5):1263-75.
6	Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
7	Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver. Gastroenterology. 1995 Oct;109(4):1274-82.
8	Characterization of the role of ABCG2 as a bile acid transporter in liver and placenta. Mol Pharmacol. 2012 Feb;81(2):273-83.
9	Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81.
10	Kinetic analysis of bile acid sulfation by stably expressed human sulfotransferase 2A1 (SULT2A1). Xenobiotica. 2010 Mar;40(3):184-94.