Details of the Drug

General Information of Drug (ID: DM2HVU8)

Drug Name

PMID24673130C26

Synonyms

GTPL8134; BDBM50011536

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)

240.24

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C13H9FN4
IUPAC Name: 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
Canonical SMILES: C1=CC(=CC(=C1)F)C2=NC3=C(C=C2)N=CN=C3N
InChI: InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
InChIKey: TWTLUQDFSDYZKO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization. J Med Chem. 2014 Apr 24;57(8):3484-93.