Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR4876)
Drug Name
ONO-2506
Synonyms
(2R)-2-Propyloctanoic acid; Arundic acid; 185517-21-9; (R)-2-PROPYLOCTANOIC ACID; Proglia; Cereact; ONO 2506; R-(-)-Arundic Acid; UNII-F2628ZD0FO; MK-0724; (R)-(-)-2-Propyloctanoic Acid; F2628ZD0FO; NCGC00183861-01; Acide arundique; Acido arzndico; Acidum arundicum; Arundic acid [INN]; Arocyte; Acide arundique [INN-French]; Acidum arundicum [INN-Latin]; Arundic acid (JAN/INN); Acido arzndico [INN-Spanish]; ONO-2506PO; MK 0724; AC1L4LMD; AC1Q5QIF; SCHEMBL4365; DSSTox_RID_83036; DSSTox_CID_28767; DSSTox_GSID_48841; ONO 2506PO; Arocyte; Ono2506; Acido arundico [INN-Spanish]; 2-Propyloctanoic acid; FR149175
Indication Haemorrhagic stroke [ICD11: 8B20] Phase 2/3 [1]
Type-2 diabetes [ICD11: ICD11: 5A11] Terminated [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 186.29 Topological Polar Surface Area 37.3
Heavy Atom Count 13 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
208925
CAS Number
185517-21-9
TTD Drug ID
D00GZW
Formula
C11H22O2
Canonical SMILES
CCCCCC[C@@H](CCC)C(=O)O
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey
YCYMCMYLORLIJX-SNVBAGLBSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
ONO-2506 M1 PDM010263 N. A. Conjugation - Glycine conjugation 1 Human
ONO-2506 M2 PDM010264 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
ONO-2506 M3 PDM010265 N. A. Conjugation - Carnitine conjugation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT00229177) Study of ONO-2506 in Patients With Acute Ischemic Stroke. U.S. National Institutes of Health.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008959)
3 Pharmacokinetics of arundic acid, an astrocyte modulating agent, in acute ischemic stroke

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