Details of the Drug

General Information of Drug (ID: DMZX430)

• Drug Name: KNI-1293
• Synonyms: KNI-1293; CHEMBL466535; (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(4-amino-2,6-dimethyphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide; BDBM50273743; (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(4-amino-2,6-dimethylphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 646.8
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C35H42N4O6S
  IUPAC Name: (4R)-3-[(2S,3S)-3-[[2-(4-amino-2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
  Canonical SMILES: CC1=CC(=CC(=C1OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)(C)C)O)C)N
  InChI: InChI=1S/C35H42N4O6S/c1-20-14-24(36)15-21(2)31(20)45-18-28(41)37-26(16-22-10-6-5-7-11-22)30(42)34(44)39-19-46-35(3,4)32(39)33(43)38-29-25-13-9-8-12-23(25)17-27(29)40/h5-15,26-27,29-30,32,40,42H,16-19,36H2,1-4H3,(H,37,41)(H,38,43)/t26-,27+,29-,30-,32+/m0/s1
  InChIKey: ABHNHNZCHPWXFW-RIQJEONASA-N
• Cross-matching ID:
  PubChem CID: 44588315
  TTD ID: D05DNU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Plasmepsin 2 (Malaria PLA2)	TTXMNHO	PLM2_PLAFA	Inhibitor	[1]

References

• [1] Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin. Bioorg Med Chem. 2008 Dec 1;16(23):10049-60.