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

General Information of Drug (ID: DR0359)
Drug Name
Clorindione
Synonyms
Chlophenadione; Chlor-athrombon; Chlorindione; Chlorindionum; Clorindiona [INN-Spanish]; Clorindione; Clorindione [INN:BAN]; Clorindionum [INN-Latin]; Indaliton; M.G. 2552; 1,3-Indandione, 2-(p-chlorophenyl)-; 1146-99-2; 2-(4-CHLOROPHENYL)INDANE-1,3-DIONE; 2-(4-Chlorophenyl)-1H-indene-1,3(2H)-dione; 2-(4-Chlorophenyl)indan-1,3-dione; 2-(4-chlorophenyl)indene-1,3-dione; 2-(p-Chlorophenyl)-1,3-indandione; 2-(p-Chlorophenyl)indan-1,3-dione; BRN 2052412; CHEMBL278519; EINECS 214-553-2; G 25766; G-25766; UNII-541C7WS64R
Indication Hypertriglyceridaemia [ICD11: 5C80] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 256.68 Topological Polar Surface Area 34.1
Heavy Atom Count 18 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
70846
ChEBI ID
CHEBI:135057
CAS Number
1146-99-2
Formula
C15H9ClO2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl
InChI
1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKey
NJDUWAXIURWWLN-UHFFFAOYSA-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
Cloranolol M1 PDM007547 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Cloranolol M2 PDM007548 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Trial of clorindione-a long acting oral anticoagulant. Postgrad Med J. 1965 Dec;41(482):783-5.
2 CYP3A time-dependent inhibition risk assessment validated with 400 reference drugs. Drug Metab Dispos. 2011 Jun;39(6):1039-46.

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