Details of the Drug

General Information of Drug (ID: DM7K5Z3)

Drug Name

KYS-05071

Synonyms

KYS-05071; CHEMBL214951

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): 1

Molecular Weight (mw)

523.6

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C27H30FN5O3S
IUPAC Name: 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
Canonical SMILES: CCN1C(C2=CC=CC=C2N=C1N(C)C)CC(=O)NCC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C27H30FN5O3S/c1-4-33-25(23-7-5-6-8-24(23)30-27(33)32(2)3)17-26(34)29-18-19-9-13-21(14-10-19)31-37(35,36)22-15-11-20(28)12-16-22/h5-16,25,31H,4,17-18H2,1-3H3,(H,29,34)
InChIKey: HWGHVXQPQONJBP-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	Growth inhibition of human cancer cells in vitro by T-type calcium channel blockers. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5014-7.