Details of the Drug

General Information of Drug (ID: DMW5SD6)

Drug Name
BDBM50011552
Synonyms CHEMBL3262571; SCHEMBL15587269; BDBM50011552
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 251.28
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H13N3O
IUPAC Name
6-(2-methoxyphenyl)quinazolin-4-amine
Canonical SMILES
COC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3N
InChI
InChI=1S/C15H13N3O/c1-19-14-5-3-2-4-11(14)10-6-7-13-12(8-10)15(16)18-9-17-13/h2-9H,1H3,(H2,16,17,18)
InChIKey
CUSAKFRCIPMPMS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
90054621
ChEBI ID
CHEMBL3262571
TTD ID
D0L2FW
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA 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 Aminoquinazoline and pyridopyrimidine derivatives. US9592235.