Details of the Drug

General Information of Drug (ID: DMI3ANC)

Drug Name
BI 7273
Synonyms
BI-7273; 1883429-21-7; CHEMBL3823478; 4-(4-((Dimethylamino)methyl)-3,5-dimethoxyphenyl)-2-methyl-2,7-naphthyridin-1(2H)-one; 4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2-Methyl-2,7-Naphthyridin-1-One; 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one; 4-{4-[(dimethylamino)methyl]-2,6-dimethoxyphenyl}-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one; 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1(2H)-one; 5SW; BI7273; GTPL9146; SCHEMBL19869878; EX-A990; BCP17545; BDBM50183448; MFCD30489736; s8179; ZINC575448880; CCG-268068; CS-5887; HY-100351; J3.533.936A; A16068; Q27075221
Indication
Disease Entry ICD 11 Status REF
Acute myeloid leukaemia 2A60 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.4
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H23N3O3
IUPAC Name
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
Canonical SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)C)OC
InChI
InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
InChIKey
RBUYFHLQNPJMQM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
118796358
ChEBI ID
CHEMBL3823478
TTD ID
DVZ6M1
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
Bromodomain-containing protein 9 (BRD9) TTR7L5Y BRD9_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem. 2016 May 26;59(10):4462-75.