Details of the Drug

General Information of Drug (ID: DMV7WSN)

Drug Name
CC-25430
Synonyms
Caroverin; Caroverina; Caroverina [INN-Spanish]; Caroverine; Caroverine (INN); Caroverine [INN]; Caroverinum; Caroverinum [INN-Latin]; P 201-1; Spasmium; Spasmium (TN); Tox21_113512; XJ73B0K6KB; ZINC4212360; 1-Diethylaminoethyl-3-(p-methoxybenzyl)quinoxalone-2; 23465-76-1; AC1L23SW; BRD-K70161083-003-01-4; C-23692; CAS-23465-76-1; CC-25430; CHEBI:135541; CHEMBL1729803; D07098; DSSTox_CID_28936; DSSTox_GSID_49010; DSSTox_RID_83202; DTXSID6049010; FT-0716182; MFCD00865257; NCGC00186046-01; NCGC00186046-02; SCHEMBL25946; UNII-XJ73B0K6KB; P-201
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 365.5
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H27N3O2
IUPAC Name
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one
Canonical SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC
InChI
MSPRUJDUTKRMLM-UHFFFAOYSA-N
InChIKey
1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3
Cross-matching ID
PubChem CID
65709
ChEBI ID
CHEBI:135541
CAS Number
23465-76-1
INTEDE ID
DR0279
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.