Details of the Drug

General Information of Drug (ID: DMGFPQ0)

Drug Name
PBF509
Synonyms
5-Bromo-2,6-di(1H-pyrazol-1-yl)pyrimidin-4-amine; 5-bromo-2,6-di(1H-pyrazol-1-yl)pyrimidin-4-amine; SCHEMBL2546228; CHEMBL3694769; ATFXVNUWQOXRRU-UHFFFAOYSA-N; BDBM128295; ZINC72317391; AKOS030527812; DS-19509; US8796284, 1; 1337962-47-6
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25.Y Phase 1/2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 306.12
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H8BrN7
IUPAC Name
5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
Canonical SMILES
C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3
InChI
InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
InChIKey
ATFXVNUWQOXRRU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53466958
ChEBI ID
CHEMBL3694769
CAS Number
1337962-47-6
TTD ID
D0E4IB
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
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)