Details of the Drug

General Information of Drug (ID: DMLPXNC)

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
ATC Code
B01AA09: Clorindione
B01AA: Vitamin K antagonists
B01A: ANTITHROMBOTIC AGENTS
B01: ANTITHROMBOTIC AGENTS
B: BLOOD AND BLOOD FORMING ORGANS
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 256.68
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H9ClO2
IUPAC Name
2-(4-chlorophenyl)indene-1,3-dione
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl
InChI
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
Cross-matching ID
PubChem CID
70846
ChEBI ID
CHEMBL135057
CAS Number
1146-99-2
UNII
541C7WS64R
DrugBank ID
DB13275
INTEDE ID
DR0359
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 CYP3A time-dependent inhibition risk assessment validated with 400 reference drugs. Drug Metab Dispos. 2011 Jun;39(6):1039-46.