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]
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
PubChem CID
86703914
ChEBI ID
CHEMBL3262587
TTD ID
D0NY6U
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
MEK kinase kinase 4 (MAP4K4) TT6NI13 M4K4_HUMAN Inhibitor [1]
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.