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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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
CAS Number: 223488-57-1
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.