Details of the Drug

General Information of Drug (ID: DMQRO6G)

Drug Name
US8546370, 102
Synonyms SCHEMBL1043246; CHEMBL3639414; BDBM103514; US8546370, 102
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 432.9
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H21ClN4O2
IUPAC Name
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
Canonical SMILES
C1COCCN1C2=CC=C(C=C2)NC3=C4C(=CC(=N3)C5=CC=CC=C5Cl)C=CNC4=O
InChI
InChI=1S/C24H21ClN4O2/c25-20-4-2-1-3-19(20)21-15-16-9-10-26-24(30)22(16)23(28-21)27-17-5-7-18(8-6-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,26,30)(H,27,28)
InChIKey
BMPOWIIBXCMAFL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
58094043
ChEBI ID
CHEMBL3639414
TTD ID
D00HGD
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
Tyrosine-protein kinase ZAP-70 (ZAP-70) TTUMHT8 ZAP70_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Compounds and compositions as kinase inhibitors. US8546370.