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]
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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
CAS Number: 1337962-47-6
TTD ID: D0E4IB

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)