Details of the Drug

General Information of Drug (ID: DMP6S0L)

Drug Name

KYS-05056

Synonyms

KYS-05056; CHEMBL459245; SCHEMBL14417338; BDBM50251382

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)

413.5

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C25H27N5O
IUPAC Name: N-[(4-aminophenyl)methyl]-2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]acetamide
Canonical SMILES: CN(C)C1=NC2=CC=CC=C2C(N1C3=CC=CC=C3)CC(=O)NCC4=CC=C(C=C4)N
InChI: InChI=1S/C25H27N5O/c1-29(2)25-28-22-11-7-6-10-21(22)23(30(25)20-8-4-3-5-9-20)16-24(31)27-17-18-12-14-19(26)15-13-18/h3-15,23H,16-17,26H2,1-2H3,(H,27,31)
InChIKey: ADQNFSXMHBVQJA-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	T-type Ca2+ channel blockers suppress the growth of human cancer cells. Bioorg Med Chem Lett. 2008 Jul 15;18(14):3899-901.