Details of the Drug

General Information of Drug (ID: DMBSFDE)

• Drug Name: LY-282210
• Synonyms: CHEMBL88337; LY-282210; BDBM50029482; L009647; 6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]-5-(2-carboxy-ethyl)-9-oxo-9H-xanthene-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); 548.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C30H28O10
  IUPAC Name: 6-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-5-(2-carboxyethyl)-9-oxoxanthene-2-carboxylic acid
  Canonical SMILES: CCC1=CC(=C(C=C1OCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O)O)C(=O)C
  InChI: InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
  InChIKey: HGMXXGVRUCAMMK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9893718
  TTD ID: D05HNB

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]
Leukotriene B4 receptor 2 (LTB4R2)	TTVJX54	LT4R2_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] Biphenylyl-substituted xanthones: highly potent leukotriene B4 receptor antagonists. J Med Chem. 1993 Nov 26;36(24):3982-4.