Details of the Drug

General Information of Drug (ID: DMZEJLB)

• Drug Name: CP-533536
• Synonyms: Evatanepag; CP-533,536; 2-(3-((((4-(1,1-dimethylethyl)phenyl)methyl)(pyridin-3-ylsulfonyl)amino)methyl)phenoxy)acetic acid; 2-[3-[[pyridin-3-ylsulfonyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenoxy]acetic Acid

Indication

Disease Entry	ICD 11	Status	REF
Osteoporosis	FB83.0	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 468.6
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H28N2O5S
  IUPAC Name: 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
  Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3
  InChI: InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
  InChIKey: WOHRHWDYFNWPNG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9890801
  ChEBI ID: CHEMBL563646
  CAS Number: 223488-57-1
  UNII: L266R6E31E
  DrugBank ID: DB12022
  TTD ID: D0G6EI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin E2 receptor EP2 (PTGER2)	TT1ZAVI	PE2R2_HUMAN	Agonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Osteoporosis
• ICD Disease Classification: FB83.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin E2 receptor EP2 (PTGER2)	DTT	PTGER2	2.77E-06	1.15	1.37

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1929).
• [2] Pfizer. Product Development Pipeline. March 31 2009.