General Information of Drug (ID: DMV5XR7)

Drug Name
6-Phenylquinazolin-4-amine
Synonyms CHEMBL3262570; 6-phenyl quinazolin-4-amine; SCHEMBL15587451; BDBM50011551
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.26
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H11N3
IUPAC Name
6-phenylquinazolin-4-amine
Canonical SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3N
InChI
InChI=1S/C14H11N3/c15-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)16-9-17-14/h1-9H,(H2,15,16,17)
InChIKey
KLSNPRMSQXGJND-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
90054733
TTD ID
D0HK8C

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.