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

General Information of Drug (ID: DR5134)
Drug Name
Mitotane
Synonyms
Chloditan; Chlodithan; Chlodithane; Khloditan; Khlodithan; Lysodren; Mitotan; Mitotano; Mitotanum; Mytotan; Bristol Myers Squibb Brand of Mitotane; C 3010; CB 313; CB313; PS694_SUPELCO; Bristol-Myers Squibb Brand of Mitotane; CB-313; Lysodren (TN); Mitotano [INN-Spanish]; Mitotanum [INN-Latin]; Ortho,para DDD; Mitotane [USAN:INN:JAN]; O,p-DDD; O,p-Tde; Ortho,para-DDD; Mitotane (JAN/USP/INN); O,p'-DDD; O,p'-Dichlorodiphenyldichloroethane; O,p'-TDE; Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-(8CI); (+-)-1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane; (2,4'-Dichlorodiphenyl)dichloroethane; (o,p)-DDD; 1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane; 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane; 1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane; 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane; 1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene; 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene; 2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane; 2,4'-Ddd; 2,4'-Dichlorodiphenyldichloroethane; 2,4'-Dichlorophenyldichlorethane; 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane; 2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane
Indication Adrenocortical carcinoma [ICD11: 2D11] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 320 Topological Polar Surface Area 0
Heavy Atom Count 18 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
Cross-matching ID
PubChem CID
4211
ChEBI ID
CHEBI:6954
CAS Number
53-19-0
TTD Drug ID
D0Z5OE
Formula
C14H10Cl4
Canonical SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChIKey
JWBOIMRXGHLCPP-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
O,P'-DDAC DM018719 N. A. Oxidation - Beta hydroxylation 1 [3]
O,P'-DDE DM015261
246598
Oxidation - Alpha hydroxylation 1 [3]
O,P'-DDA DM015010
36678
Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010974 Mitotane O,P'-DDAC Oxidation - Beta hydroxylation CYP [3]
MR010976 Mitotane O,P'-DDE Oxidation - Alpha hydroxylation Unclear [3]
MR010975 O,P'-DDAC O,P'-DDA Unclear - Unclear Unclear [3]
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 URL: 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: 6957).
2 Drug interactions with mitotane by induction of CYP3A4 metabolism in the clinical management of adrenocortical carcinoma
3 Pharmacological profile and effects of mitotane in adrenocortical carcinoma

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