Details of the Drug

General Information of Drug (ID: DM6EQVT)

• Drug Name: US9682983, 1
• Synonyms: SCHEMBL16112697; YTUZELSDHUVEFM-UHFFFAOYSA-N; BDBM111122; US9682983, 1; US9682983, 17; 4-(6-(6-(piperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 407.5
  Topological Polar Surface Area (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H21N7
  IUPAC Name: 4-[6-(6-piperazin-1-ylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
  Canonical SMILES: C1CN(CCN1)C2=NC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3
  InChI: InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
  InChIKey: YTUZELSDHUVEFM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86275005
  TTD ID: D01RXV

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.
• [2] Compounds and methods of use. US10030004.
• [3] Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe. Bioorg Med Chem Lett. 2013 Jun 1;23(11):3248-52.