Details of the Drug

General Information of Drug (ID: DMU2WIS)

• Drug Name: SC-50073
• Synonyms: SC-50073; CHEMBL167804; SCHEMBL8941432; CIIUJGWVQJRIPP-UHFFFAOYSA-N; BDBM50284123; 3,4-Dihydro-7-[3-[3-methoxy-2-propyl-4-[(methylamino)carbonyl]phenoxy]propoxy]-8-propyl-2H-1-benzopyran-2-carboxylic acid; 7-[3-(3-Methoxy-4-methylcarbamoyl-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 499.6
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C28H37NO7
  IUPAC Name: 7-[3-[3-methoxy-4-(methylcarbamoyl)-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
  Canonical SMILES: CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)NC)OC)CCC
  InChI: InChI=1S/C28H37NO7/c1-5-8-19-22(13-10-18-11-14-24(28(31)32)36-25(18)19)34-16-7-17-35-23-15-12-21(27(30)29-3)26(33-4)20(23)9-6-2/h10,12-13,15,24H,5-9,11,14,16-17H2,1-4H3,(H,29,30)(H,31,32)
  InChIKey: CIIUJGWVQJRIPP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15817161
  TTD ID: D07EGC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene B4 receptor 1 (LTB4R)	TTN53ZF	LT4R1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Leukotriene B4 receptor 1 (LTB4R)	DTT	LTB4R	3.40E-01	0.21	0.53

References

• [1] Synthesis and pharmacological activity of SC-53228, a leukotriene B4 receptor antagonist with high intrinsic potency and selectivity, Bioorg. Med. Chem. Lett. 4(6):811-816 (1994).