Details of the Drug

General Information of Drug (ID: DM8RJ0V)

• Drug Name: SC-50676
• Synonyms: SC-50676; CHEMBL167474; SCHEMBL8941563; SSLKTPMFZMERSJ-UHFFFAOYSA-N; BDBM50284121; 7-[3-[2-(Cyclopropylmethyl)-3-methoxy-4-[(methylamino)carbonyl]phenoxy]propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid; 7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcarbamoyl-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): 3:
  Molecular Weight (mw); 511.6
  Logarithm of the Partition Coefficient (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C29H37NO7
  IUPAC Name: 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]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)CC4CC4
  InChI: InChI=1S/C29H37NO7/c1-4-6-20-23(12-9-19-10-13-25(29(32)33)37-26(19)20)35-15-5-16-36-24-14-11-21(28(31)30-2)27(34-3)22(24)17-18-7-8-18/h9,11-12,14,18,25H,4-8,10,13,15-17H2,1-3H3,(H,30,31)(H,32,33)
  InChIKey: SSLKTPMFZMERSJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15237280
  TTD ID: D0R9ED

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).