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

General Information of Drug (ID: DR1889)
Drug Name
PNU-95666
Synonyms
PNU-95666; PNU-95666E; SCHEMBL154412; Sumanirole; Sumanirole [INN]; TC-157106; ZINC3960633; (R)-5,6-Dihydro-5-(methylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one; (R)-5-(Methylamino)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one; (R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-ij]quinolin-2-one; 179386-43-7; 3E93IV1U45; AJ-47538; AKOS016007107; ANW-68361; API0008147; AX8237583; BDBM50056443; CHEMBL419792; CS-M0030; CTK8C2417; FT-0674778; GTPL3949; NCGC00346440-01; UNII-3E93IV1U45
Indication Parkinsonism [ICD11: 8A00] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 203.24 Topological Polar Surface Area 44.4
Heavy Atom Count 15 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
9818479
PubChem SID
14797551 ; 15195581 ; 24122573 ; 44854443 ; 75621928 ; 103357480 ; 103952699 ; 129144523 ; 134224983 ; 134340821 ; 135261297 ; 141993172 ; 160835859 ; 163097331 ; 163399818 ; 163773618 ; 163846019 ; 164765184 ; 172914815 ; 174006884 ; 178100776 ; 198967559 ; 204431143 ; 210276636 ; 223556709 ; 225376294 ; 226518850 ; 242589478
CAS Number
179386-43-7
TTD Drug ID
D07YVK
Formula
C11H13N3O
Canonical SMILES
CNC1CC2=C3C(=CC=C2)NC(=O)N3C1
InChI
1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKey
RKZSNTNMEFVBDT-MRVPVSSYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Drugs used to treat Parkinson's disease, present status and future directions. CNS Neurol Disord Drug Targets. 2008 Oct;7(4):321-42.
2 Psychological effects of dopamine agonist treatment in patients with hyperprolactinemia and prolactin-secreting adenomas. Eur J Endocrinol. 2019 Jan 1;180(1):31-40.

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