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

General Information of Drug (ID: DR3360)
Drug Name
PD-143188
Synonyms PD-147693; PD-149394; PD-155144; PD-163637; PD-163639
Indication Psychotic disorder [ICD11: 6A20-6A25] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 329.5 Topological Polar Surface Area 3.2
Heavy Atom Count 25 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
101650979
TTD Drug ID
D02UJD
Formula
C24H27N
Canonical SMILES
C1CN(CC=C1C2=CC=CC=C2)C[C@@H]3CC=CC(C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-7,9-14,20,24H,8,15-19H2/t20-,24?/m1/s1
InChIKey
SDOHTVBFDDPWNE-CGHJUBPDSA-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
PD-147693 DM015236
178078
Oxidation - Hydroxylation 1 [2]
PD-149394 DM015151
127698
Oxidation - Hydroxylation 1 [2]
PD-155144 DM015708
10713620
Oxidation - Hydroxylation 2 [2]
PD-163637 DM015615
10093927
Conjugation - Sulfation 2 [2]
PD-163638 DM017257 N. A. Unclear - Unclear 2 [2]
PD-163639 DM015616
10094855
Conjugation - Sulfation 3 [2]
PD-163639 DM015616
10094855
Unclear - Unclear 3 [2]
PD-163640 DM017255 N. A. Unclear - Unclear 3 [2]
PD-163249 DM017256 N. A. Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008356 PD-143188 PD-147693 Oxidation - Hydroxylation CYP2D6 [2]
MR008360 PD-143188 PD-149394 Oxidation - Hydroxylation Unclear [2]
MR008357 PD-147693 PD-155144 Oxidation - Hydroxylation CYP2D6 [2]
MR008364 PD-147693 PD-163637 Conjugation - Sulfation CYP2D6 [2]
MR008361 PD-149394 PD-155144 Oxidation - Hydroxylation CYP2D6 [2]
MR008365 PD-149394 PD-163638 Unclear - Unclear Unclear [2]
MR008358 PD-155144 PD-163640 Unclear - Unclear Unclear [2]
MR008362 PD-155144 PD-163639 Unclear - Unclear CYP2D6 [2]
MR008363 PD-163639 PD-163249 Unclear - Unclear CYP2D6 [2]
MR008359 PD-163640 PD-163249 Unclear - Unclear CYP2D6 [2]
⏷ Show the Full List of 10 MR(s)
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005971)
2 Disposition of the antipsychotic agent CI-1007 in rats, monkeys, dogs, and human cytochrome P450 2D6 extensive metabolizers. Species comparison and allometric scaling

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