Details of the Drug

General Information of Drug (ID: DMPUH4Z)

• Drug Name: Diaminopyridine analog 4
• Synonyms: PMID27310003-Compound-21
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 522.7
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C24H26N8O2S2
  IUPAC Name: N-[1-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)pyridin-3-yl]-1,3,4-thiadiazole-2-carbonyl]pyrrolidin-3-yl]acetamide
  Canonical SMILES: CC(C)NC1=CC(=NC=C1C2=NN=C(S2)C(=O)N3CCC(C3)NC(=O)C)NC4=CC5=C(C=C4)N=CS5
  InChI: InChI=1S/C24H26N8O2S2/c1-13(2)27-19-9-21(29-15-4-5-18-20(8-15)35-12-26-18)25-10-17(19)22-30-31-23(36-22)24(34)32-7-6-16(11-32)28-14(3)33/h4-5,8-10,12-13,16H,6-7,11H2,1-3H3,(H,28,33)(H2,25,27,29)
  InChIKey: OYYXHUJLHDYELY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71656368
  TTD ID: D0S1DI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Renal carcinoma antigen NY-REN-64 (IRAK-4)	TTKFVXR	IRAK4_HUMAN	Inhibitor	[1]

References

• [1] Inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4): a patent review (2012-2015).Expert Opin Ther Pat. 2016 Aug;26(8):917-32.