Details of the Drug

General Information of Drug (ID: DMD0GN6)

• Drug Name: US10030004, Compound 33
• Synonyms: SCHEMBL16879197; BDBM280367; US10030004, Compound 33; Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-(pyrrolidin-1-yl)pyridin-4-yl]amino}-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 485.9
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C24H25ClFN5O3
  IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-ylpyridin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
  Canonical SMILES: C1CCN(C1)C2=CN=C(C=C2NC3=C(C=NC=C3)C(=O)NC(CO)CO)C4=C(C=CC(=C4)Cl)F
  InChI: InChI=1S/C24H25ClFN5O3/c25-15-3-4-19(26)17(9-15)21-10-22(23(12-28-21)31-7-1-2-8-31)30-20-5-6-27-11-18(20)24(34)29-16(13-32)14-33/h3-6,9-12,16,32-33H,1-2,7-8,13-14H2,(H,29,34)(H,27,28,30)
  InChIKey: FDMRIXRWLAMVEF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118211070
  TTD ID: D0IA7H

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] Compounds and methods of use. US10030004.