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

General Information of Drug (ID: DR3481)
Drug Name
CQA 206-291
Synonyms
Cqa 206-291; Cqa-206-291; 93822-42-5; UNII-9I4I0M95U7; 9I4I0M95U7; N,N-Diethyl-N-(1-ethyl-6-methylergoline-8-yl)sulfamide; AC1L3TWB; SCHEMBL8195741; Sulfamide, N,N-diethyl-N'-((8alpha)-1-ethyl-6-methylergolin-8-yl)-
Indication Parkinsonism [ICD11: 8A00] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 404.6 Topological Polar Surface Area 66
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
9953076
CAS Number
93822-42-5
TTD Drug ID
D07GJZ
Formula
C21H32N4O2S
Canonical SMILES
CCN1C=C2C[C@@H]3[C@H](C[C@@H](CN3C)NS(=O)(=O)N(CC)CC)C4=C2C1=CC=C4
InChI
InChI=1S/C21H32N4O2S/c1-5-24-13-15-11-20-18(17-9-8-10-19(24)21(15)17)12-16(14-23(20)4)22-28(26,27)25(6-2)7-3/h8-10,13,16,18,20,22H,5-7,11-12,14H2,1-4H3/t16-,18+,20+/m0/s1
InChIKey
ARTRTLXKTHJPRW-ILZDJORESA-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
N-deethylated CQA 206-291 DM019549 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012188 CQA 206-291 N-deethylated CQA 206-291 Unclear - Unclear Unclear [2]
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]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 CQA 206-291: a novel dopamine agonist in the treatment of Parkinson's disease. Clin Neuropharmacol. 1990 Aug;13(4):303-11.
2 Characterization of the cytochrome P-450 gene family responsible for the N-dealkylation of the ergot alkaloid CQA 206-291 in humans

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