Details of the Drug

General Information of Drug (ID: DM4F96I)

Drug Name
KKHT-11018
Synonyms KKHT-11018; CHEMBL225485; BDBM50196480
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) 469
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H29ClN4O3
IUPAC Name
3-[(4-chlorophenyl)methyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
Canonical SMILES
CCC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H29ClN4O3/c1-2-20-5-3-4-13-29(20)14-12-27-23(31)18-8-11-21-22(15-18)28-25(33)30(24(21)32)16-17-6-9-19(26)10-7-17/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,27,31)(H,28,33)
InChIKey
FKCDNDBJVOQPJB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44422187
ChEBI ID
CHEMBL225485
TTD ID
D0Y4WI
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.