Details of the Drug

General Information of Drug (ID: DM6R1YP)

• Drug Name: US9682983, 33
• Synonyms: SCHEMBL16134982; BDBM148372; US9682983, 33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 435.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H25N7
  IUPAC Name: 4-[6-[6-[(2S,6R)-2,6-dimethylpiperazin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
  Canonical SMILES: C[C@@H]1CNC[C@@H](N1C2=NC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3)C
  InChI: InChI=1S/C26H25N7/c1-17-11-27-12-18(2)33(17)25-8-7-19(13-29-25)20-14-30-26-23(15-31-32(26)16-20)21-9-10-28-24-6-4-3-5-22(21)24/h3-10,13-18,27H,11-12H2,1-2H3/t17-,18+
  InChIKey: OVXMCCQKIOSDGE-HDICACEKSA-N
• Cross-matching ID:
  PubChem CID: 86275006
  TTD ID: D0F7CA

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.