Details of the Drug

General Information of Drug (ID: DM0RAPC)

• Drug Name: US10030004, Compound 19
• Synonyms: SCHEMBL16879133; BDBM280352; US10030004, Compound 19; Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 528
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C27H31ClFN5O3
  IUPAC Name: tert-butyl N-[2-[[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]amino]pyridine-3-carbonyl]amino]ethyl]carbamate
  Canonical SMILES: CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NCCNC(=O)OC(C)(C)C)C3=C(C=CC(=C3)Cl)F
  InChI: InChI=1S/C27H31ClFN5O3/c1-16(2)19-15-33-23(18-12-17(28)6-7-21(18)29)13-24(19)34-22-8-9-30-14-20(22)25(35)31-10-11-32-26(36)37-27(3,4)5/h6-9,12-16H,10-11H2,1-5H3,(H,31,35)(H,32,36)(H,30,33,34)
  InChIKey: NUVPAWNZKYSCFY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118211014
  TTD ID: D0E9VJ

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.