Details of the Drug

General Information of Drug (ID: DMZD6IJ)

• Drug Name: BDBM108945
• Synonyms: SCHEMBL12780004; BDBM108945
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 405.5
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H23N5
  IUPAC Name: 4-[6-(4-piperidin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
  Canonical SMILES: C1CNCCC1C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3
  InChI: InChI=1S/C26H23N5/c1-2-4-25-23(3-1)22(11-14-28-25)24-16-30-31-17-21(15-29-26(24)31)19-7-5-18(6-8-19)20-9-12-27-13-10-20/h1-8,11,14-17,20,27H,9-10,12-13H2
  InChIKey: WTMROIBZVGJXRP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58170113
  TTD ID: D05YMG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Activin receptor type IB (ACVR1B)	TTPKHTZ	ACV1B_HUMAN	Inhibitor	[1]

References

• [1] BMP inhibitors and methods of use thereof. US9682983.