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

General Information of Drug (ID: DR1109)
Drug Name
FO-611
Synonyms
Ethamolin; Ethamolin (TN); Ethanolamine oleate (USAN); Ethanolamine oleate [USAN]; Monoaethanolamini oleas; Monoetanolammina oleato [DCIT]; Monoethanolamine oleate; Monolate; Moramin; Neo-varicane; Neosclerol; Oldamin; Oleic acid monoethanolamine; ETHANOLAMINE OLEATE; Oleic acid, ethanolamine salt; Phlebocid; Thanomin; Tindanol; U4RY8MRX7C; Varicetin; W-109765; beta-Hydroxyethylammonium oleate; (Z)-octadec-9-enoic acid; 2-aminoethanol; CCRIS 3324; UNII-U4RY8MRX7C; Varex; cis-9-Octadecenoic acid, ethanolamine salt
Indication Hepatic encephalopathy [ICD11: DB99] Phase 1 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 343.5 Topological Polar Surface Area 83.6
Heavy Atom Count 24 Rotatable Bond Count 16
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5282489
PubChem SID
7849335 ; 8617085 ; 39315923 ; 48415967 ; 57358695 ; 77776580 ; 99443246 ; 113857314 ; 126674136 ; 134981584 ; 137008449 ; 160967862 ; 175267734 ; 179117037 ; 223664923 ; 226512368 ; 241046986
CAS Number
2272-11-9
TTD Drug ID
D0O1PH
Formula
C20H41NO3
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)O.C(CO)N
InChI
1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;
InChIKey
KGWDUNBJIMUFAP-KVVVOXFISA-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
FO-611 M1 PDM007500 N. A. Conjugation - 1-O-Acylation of glycerone-3-phosphate 1 Human
FO-611 M2 PDM007501
5478896
Other reaction - Ligation of long-chain fatty acyl-CoA 1 Human
FO-611 M3 PDM007502
6366615
Conjugation - Glycine conjugation 1 Human
FO-611 M4 PDM007503 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
FO-611 M5 PDM007504
53477837
Conjugation - Carnitine conjugation 1 Human
FO-611 M6 PDM007505
6365142
Oxidation - beta-Oxidation of carboxylic acid 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
References
1 Monoethanolamine oleate sclerotherapy for polycystic liver disease. Dig Dis. 2016;34(6):654-658.
2 CYP2E1--biochemical and toxicological aspects and role in alcohol-induced liver injury. Mt Sinai J Med. 2006 Jul;73(4):657-72.

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