Details of the Drug

General Information of Drug (ID: DMWSP6H)

• Drug Name: L-162782
• Synonyms: L-162782; CHEMBL289614; SCHEMBL9133104; BDBM50141059; butyl (4'-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-5-isobutyl-[1,1'-biphenyl]-2-yl)sulfonylcarbamate; N-Butyloxycarbonyl-4''-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-5-isobutyl-biphenyl-2-sulfonic acid amide

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); 576.8
  Logarithm of the Partition Coefficient (xlogp); 7.5
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C32H40N4O4S
  IUPAC Name: butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2-methylpropyl)phenyl]sulfonylcarbamate
  Canonical SMILES: CCCCOC(=O)NS(=O)(=O)C1=C(C=C(C=C1)CC(C)C)C2=CC=C(C=C2)CN3C(=NC4=C3N=C(C=C4C)C)CC
  InChI: InChI=1S/C32H40N4O4S/c1-7-9-16-40-32(37)35-41(38,39)28-15-12-25(17-21(3)4)19-27(28)26-13-10-24(11-14-26)20-36-29(8-2)34-30-22(5)18-23(6)33-31(30)36/h10-15,18-19,21H,7-9,16-17,20H2,1-6H3,(H,35,37)
  InChIKey: GABMQILPAPONQS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10031067
  TTD ID: D0Z7AF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-1 (AGTR1)	TT8DBY3	AGTR1_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
Angiotensin II receptor type-1 (AGTR1)	DTT	AGTR1	8.95E-01	1.34E-02	0.07

References

• [1] Selective angiotensin II AT2 receptor agonists: Benzamide structure-activity relationships. Bioorg Med Chem. 2008 Jul 15;16(14):6841-9.