Details of the Drug

General Information of Drug (ID: DMXKN6R)

• Drug Name: CLIK-181
• Synonyms: J3.633.044I

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 466.5
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C25H30N4O5
  IUPAC Name: (2R,3S)-3-N-[2-(4-acetamidophenyl)ethyl]-2-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2,3-dicarboxamide
  Canonical SMILES: CC(=O)NC1=CC=C(C=C1)CCNC(=O)[C@@H]2[C@@H](O2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)C
  InChI: InChI=1S/C25H30N4O5/c1-16(30)27-19-11-9-17(10-12-19)13-14-26-23(31)21-22(34-21)24(32)28-20(25(33)29(2)3)15-18-7-5-4-6-8-18/h4-12,20-22H,13-15H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-,22+/m0/s1
  InChIKey: BULLLJQHDGSHOZ-FDFHNCONSA-N
• Cross-matching ID:
  PubChem CID: 132504749
  TTD ID: DYU3I8

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin L (CTSL)	TT36ETB	CATL1_HUMAN	Inhibitor	[1]

References

• [1] Lysosomes as a therapeutic target. Nat Rev Drug Discov. 2019 Dec;18(12):923-948.