Details of the Drug

General Information of Drug (ID: DMTW4Q1)

Drug Name
KKHT-20918
Synonyms
KKHT-20918; CHEMBL224246; SCHEMBL8227894; IWAHUQRZIUVMSG-UHFFFAOYSA-N; KUC112514N; BDBM50196475; KSC-323-47-1-1; 3-(4-chlorobenzyl)-2,4-dioxo-N-(3-(piperidin-1-yl)propyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide; 3-(4-Chloro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid (3-piperidine-1-yl-propyl)-amide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 454.9
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H27ClN4O3
IUPAC Name
3-[(4-chlorophenyl)methyl]-2,4-dioxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
Canonical SMILES
C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H27ClN4O3/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32)
InChIKey
IWAHUQRZIUVMSG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25196851
ChEBI ID
CHEMBL224246
TTD ID
D0QM9Y
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G) TT729IR CAC1G_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel T-type calcium channel blockers: dioxoquinazoline carboxamide derivatives. Bioorg Med Chem. 2007 Jan 1;15(1):365-73.