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
  ChEBI ID: CHEMBL5769647
  TTD ID: D0F7CA
• 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
Activin receptor type IB (ACVR1B)	TTPKHTZ	ACV1B_HUMAN	Inhibitor	[1]

References

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