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

General Information of Drug (ID: DR1789)
Drug Name
RD-4593
Synonyms
Anicon B; Anicon P; Celatox CMPP; Chipco turf herbicide mcpp; Compitox; FBC CMPP; Iso-Cornox; Isocarnox; Kilprop; Liranox; MECOPROP; Mechlorprop; MCPP; Mecomec; Mecopar; Mecopeop; Mecoper; Mecopex; Mecoturf; Mecprop; Morogal; N.b. mecoprop; Okultin MP; Proponex-plus; Rankotex; Runcatex; SYS 67 Mecmin; U 46 KV fluid; Vi-Par; Vi-Pex; 2-(4-Chloro-2-methylphenoxy)propanoic acid; 2-(4-Chloro-2-methylphenoxy)propionic acid; 2-(p-Chloro-o-tolyloxy)propionic acid; 2-Mcpp; 2M4KhP; 7085-19-0; 93-65-2; CMPP; Mepro; Propanoic acid, 2-(4-chloro-2-methylphenoxy)-
Indication Depression [ICD11: 6A71] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 214.64 Topological Polar Surface Area 46.5
Heavy Atom Count 14 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
7153
ChEBI ID
CHEBI:75704
CAS Number
6640-24-0
TTD Drug ID
D0S5FQ
Formula
C10H11ClO3
Canonical SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
InChI
1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKey
WNTGYJSOUMFZEP-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
RD-4593 M1 PDM007675
43091938
Conjugation - Glycine conjugation 1 Human
RD-4593 M2 PDM007676 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
RD-4593 M3 PDM007677 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 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Dopaminergic mechanisms of reinstatement of MDMA-seeking behaviour in rats. Br J Pharmacol. 2011 Apr;162(8):1770-80.
2 Proof of a 1-(3-chlorophenyl)piperazine (mCPP) intake: use as adulterant of cocaine resulting in drug-drug interactions? J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Aug 15;855(2):127-33.

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