taprenepag

Ligand id: 5816

Name: taprenepag

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 123
Molecular weight 478.13
XLogP 3.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
International Nonproprietary Names
INN number INN
9305 taprenepag
Synonyms
CP 544326 | CP-544326 | PF 04217329 | PF-04217329
Database Links
CAS Registry No. 752187-80-7
ChEMBL Ligand CHEMBL2107783
PubChem CID 18376177
Search Google for chemical match using the InChIKey MFFBXYNKZHTCEY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MFFBXYNKZHTCEY
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Search UniChem for chemical match using the InChIKey MFFBXYNKZHTCEY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MFFBXYNKZHTCEY
Comments
Taprenepag is a prostanoid EP2 receptor agonist in clinical development for ocular hypertension/glaucoma [1]. Chemically PF-04217329 is the pro-drug taprenepag isopropyl (PubChem CID 23729077), the active acid metabolite of which is CP-544326, as depicted here.