Details of the Drug

General Information of Drug (ID: DMNLD6W)

• Drug Name: SCH 44643
• Synonyms: SCH 44643; 133330-43-5; AC1L466E

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 432.9
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C25H23ClN3O2-
  IUPAC Name: [4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-(1-oxido-2H-pyridin-4-yl)methanone
  Canonical SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)C(=O)C4=CCN(C=C4)[O-])C5=C1C=CC=N5
  InChI: InChI=1S/C25H23ClN3O2/c26-21-5-6-22-20(16-21)4-3-18-2-1-11-27-24(18)23(22)17-7-12-28(13-8-17)25(30)19-9-14-29(31)15-10-19/h1-2,5-6,9-11,14,16H,3-4,7-8,12-13,15H2/q-1
  InChIKey: IJTLWVCXERQDJL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 179927
  CAS Number: 133330-43-5
  TTD ID: D0X9MW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet activating factor (PAF)	TT27K59	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Determination of plasma concentrations of SCH 44643 by a GC method and correlation of plasma concentration and anti-PAF activity in cynomolgus monkeys. J Pharm Biomed Anal. 1996 Dec;15(3):343-7.