Details of the Drug

General Information of Drug (ID: DMIAGPX)

• Drug Name: US10022354, Example 5
• Synonyms: SCHEMBL17682496; CHEMBL4062756; US10022354, Example 5; BDBM281065
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 369.5
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H27N5O2
  IUPAC Name: N,N,2-trimethyl-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
  Canonical SMILES: CC1=CC(=CC(=N1)C2CCN(C2)C(=O)C3=NNC(=C3)C(C)C)C(=O)N(C)C
  InChI: InChI=1S/C20H27N5O2/c1-12(2)16-10-18(23-22-16)20(27)25-7-6-14(11-25)17-9-15(8-13(3)21-17)19(26)24(4)5/h8-10,12,14H,6-7,11H2,1-5H3,(H,22,23)
  InChIKey: YAVZAMCCDJRPBX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121279569
  TTD ID: D0NM3B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 5A (KDM5A)	TTIG67W	KDM5A_HUMAN	Inhibitor	[1]

References

• [1] IRE-1 inhibitors