Details of the Drug

General Information of Drug (ID: DM1H5TO)

Drug Name

KKHT-10613

Synonyms

KKHT-10613; CHEMBL225543; SCHEMBL8230911; BDBM50295829

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)

398.5

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H30N4O3
IUPAC Name: 3-cyclohexyl-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide
Canonical SMILES: C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCN4CCCCC4)NC2=O
InChI: InChI=1S/C22H30N4O3/c27-20(23-11-14-25-12-5-2-6-13-25)16-9-10-18-19(15-16)24-22(29)26(21(18)28)17-7-3-1-4-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)(H,24,29)
InChIKey: NNJAFUNKEIDAAF-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.