Details of the Drug

General Information of Drug (ID: DMP2G5W)

• Drug Name: (3-amino-5-bromobenzofuran-2-yl)(phenyl)methanone
• Synonyms: CHEMBL591458; (3-Amino-5-bromo-benzofuran-2-yl)-phenyl-methanone; (3-amino-5-bromo-1-benzofuran-2-yl)(phenyl)methanone; SMR000010549; MLS000031617; AC1LCKCT; regid849115; Oprea1_732422; Oprea1_454471; MLS002534670; (3-amino-5-bromobenzofuran-2-yl)(phenyl)methanone; SCHEMBL13102601; ZINC97827; CTK5I8073; MolPort-000-164-762; HMS2395L21; STK078344; BDBM50306745; AKOS000510990; MCULE-9438936220; ST037109; BAS 01507283; EU-0018517; 3-amino-5-bromobenzo[d]furan-2-yl phenyl ketone; SR-01000523207; SR-01000523207-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 316.15
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H10BrNO2
  IUPAC Name: (3-amino-5-bromo-1-benzofuran-2-yl)-phenylmethanone
  Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)N
  InChI: InChI=1S/C15H10BrNO2/c16-10-6-7-12-11(8-10)13(17)15(19-12)14(18)9-4-2-1-3-5-9/h1-8H,17H2
  InChIKey: SBFAYONAJFSEPC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 651586
  TTD ID: D03LJX

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	Inhibitor	[1]

References

• [1] Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem. 2010 Feb 25;53(4):1799-809.