Details of the Drug

General Information of Drug (ID: DMA8UQM)

Drug Name

PMID23634668C14

Synonyms

GTPL8557

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

480.6

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H28N6O2
IUPAC Name: N-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridin-2-ylquinazolin-4-yl)piperazin-1-yl]propan-2-yl]acetamide
Canonical SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=N5
InChI: InChI=1S/C28H28N6O2/c1-20(35)30-25(19-21-9-3-2-4-10-21)28(36)34-17-15-33(16-18-34)27-22-11-5-6-12-23(22)31-26(32-27)24-13-7-8-14-29-24/h2-14,25H,15-19H2,1H3,(H,30,35)/t25-/m0/s1
InChIKey: NHHPRDYQOKYIBK-VWLOTQADSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methionyl aminopeptidase 1 (METAP1)	TT1L79K	MAP11_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells. J Med Chem. 2013 May 23;56(10):3996-4016.