Drug Information

Drug General Information
Drug ID
D0OR2L
Former ID
DNC002624
Drug Name
Cholic Acid
Drug Type
Small molecular drug
Indication Peroxisomal disorders; Synthesis disorders Approved [1]
Structure
Download
2D MOL

3D MOL
Formula
C24H40O5
InChI
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
BHQCQFFYRZLCQQ-OELDTZBJSA-N
CAS Number
CAS 81-25-4
PubChem Compound ID
221493
PubChem Substance ID
3963, 72129, 584143, 607109, 822057, 841391, 3135999, 4266387, 7886587, 8145669, 9376190, 11110315, 14757556, 15277848, 17422064, 24423691, 24423929, 24892356, 24893153, 26717723, 26717726, 26717727, 26737120, 26737126, 26737128, 26750105, 26750407, 26750412, 26750415, 26750420, 26750424, 30424718, 46507063, 47193710, 47662491, 49700787, 50452100, 53787750, 53789207, 56313736, 56437567, 56437568, 57399957, 81067251, 81091088, 85279435, 85285851, 85285861, 85285865, 85285871
SuperDrug ATC ID
A05AA03
Target and Pathway
Target(s) Phospholipase A2 Target Info Inhibitor [2]
Ferrochelatase Target Info Inhibitor [2]
Liver carboxylesterase Target Info Inhibitor [2]
BioCyc Pathway PhospholipasesPWY-5920:Heme biosynthesis
Heme biosynthesis from uroporphyrinogen-III I
KEGG Pathway Glycerophospholipid metabolism
Ether lipid metabolism
Arachidonic acid metabolism
Linoleic acid metabolism
alpha-Linolenic acid metabolism
Metabolic pathways
Ras signaling pathway
Vascular smooth muscle contraction
Pancreatic secretion
Fat digestion and absorptionhsa00860:Porphyrin and chlorophyll metabolism
Metabolic pathwayshsa00983:Drug metabolism - other enzymes
PANTHER Pathway Heme biosynthesis
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cellshif1_tfpathway:HIF-1-alpha transcription factor networke2f_pathway:E2F transcription factor network
PathWhiz Pathway Porphyrin Metabolism
Reactome Acyl chain remodelling of PC
Acyl chain remodelling of PE
Acyl chain remodelling of PI
WikiPathways Glycerophospholipid biosynthesisWP561:Heme Biosynthesis
Metabolism of porphyrinsWP2884:NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
REF 1(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).
REF 2How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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