Details of the Drug

General Information of Drug (ID: DMXBJCY)

• Drug Name: Sch-40120
• Synonyms: AC1MIW6C; SCHEMBL9535601; 10-(3-Chlorophenyl)-6,8,9,10-tetrahydrobenzo(b)(1,8)-naphthyridine-5(7H)-one; 113077-44-4; 5-(3-chlorophenyl)-7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-6-one; Benzo(c)(1,8)naphthyridin-6(5H)-one, 5-(3-chlorophenyl)-7,8,9,10-tetrahydro-

Indication

Disease Entry	ICD 11	Status	REF
Pruritus	EC90	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 310.8
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H15ClN2O
  IUPAC Name: 10-(3-chlorophenyl)-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-one
  Canonical SMILES: C1CCC2=C(C1)C(=O)C3=C(N2C4=CC(=CC=C4)Cl)N=CC=C3
  InChI: InChI=1S/C18H15ClN2O/c19-12-5-3-6-13(11-12)21-16-9-2-1-7-14(16)17(22)15-8-4-10-20-18(15)21/h3-6,8,10-11H,1-2,7,9H2
  InChIKey: SLPWZBSWUHLVRY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 184227
  CAS Number: 110545-79-4
  TTD ID: D06MPF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Pruritus
• ICD Disease Classification: EC90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003693)
• [2] Actions of a 5-lipoxygenase inhibitor, Sch 40120, on acute inflammatory responses. J Pharmacol Exp Ther. 1992 Aug;262(2):721-8.