Details of the Drug

General Information of Drug (ID: DMMI1H0)

Drug Name

KKHT-10609

Synonyms

KKHT-10609; CHEMBL224778; SCHEMBL8230066; BDBM50196473

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

424.5

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C23H25FN4O3
IUPAC Name: 3-[(4-fluorophenyl)methyl]-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide
Canonical SMILES: C1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)F
InChI: InChI=1S/C23H25FN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31)
InChIKey: PYCLIFABZLPONX-UHFFFAOYSA-N

Cross-matching ID

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]

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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.