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

General Information of Drug (ID: DR0762)
Drug Name
D-600
Synonyms
Gallopamil; Gallopamil [INN:BAN]; Gallopamillum [INN-Latin]; Galopamilo; Galopamilo [INN-Spanish]; methoxyverapamil; (+/-)-Methoxyverapamil hydrochloride; 16662-47-8; 5-((3,4-Dimethoxyphenethyl)(methyl)amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile; Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-; C28H40N2O5; CHEBI:34772; D 600; D600
Indication Asthma [ICD11: CA23] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 484.6 Topological Polar Surface Area 73.2
Heavy Atom Count 35 Rotatable Bond Count 14
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
1234
PubChem SID
854012 ; 5588061 ; 7979354 ; 8151048 ; 10510120 ; 11120269 ; 11120757 ; 11121245 ; 11121448 ; 11121928 ; 11362517 ; 11365079 ; 11367641 ; 11370305 ; 11370306 ; 11373242 ; 11375803 ; 14834960 ; 24439579 ; 26752312 ; 26752313 ; 47440013 ; 47810532 ; 47885193 ; 47885194 ; 48110231 ; 48258991 ; 49878993 ; 50105237 ; 50105238 ; 57320831 ; 76626821 ; 85087629 ; 85286057 ; 85787221 ; 85788738 ; 90341545 ; 91721411 ; 92309799 ; 96024702 ; 99300713 ; 103235960 ; 103845994 ; 103925610 ; 104171189 ; 104297146 ; 117513596 ; 124749992 ; 124880746 ; 124880747
ChEBI ID
CHEBI:34772
CAS Number
16662-46-7
TTD Drug ID
D00ERV
Formula
C28H40N2O5
Canonical SMILES
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
InChI
1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
InChIKey
XQLWNAFCTODIRK-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
D-600 M1 DM006850 N. A. Oxidation - N-dealkylation 1 [3]
D-600 M2 DM006851 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007437 D-600 D-600 M1 Oxidation - N-dealkylation Unclear [3]
MR007438 D-600 D-600 M2 Unclear CYP3A4 [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]
References
1 ClinicalTrials.gov (NCT00896428) Effects of Gallopamil in Severe Asthma.
2 Identification of human cytochrome P-450 isoforms involved in metabolism of R(+)- and S(-)-gallopamil: utility of in vitro disappearance rate. Drug Metab Dispos. 1999 Nov;27(11):1254-9.
3 Pathways of gallopamil metabolism. Regiochemistry and enantioselectivity of the N-dealkylation processes

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