TAPRENEPAG ISOPROPYL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 81LDP7XIYG

Structure
InChI Key NVPXUFQLKWKBHK-UHFFFAOYSA-N
Smile CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
InChI
InChI=1S/C27H28N4O5S/c1-21(2)36-27(32)20-35-25-7-3-6-23(16-25)19-30(37(33,34)26-8-4-13-28-17-26)18-22-9-11-24(12-10-22)31-15-5-14-29-31/h3-17,21H,18-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28N4O5S
Molecular Weight 520.61
AlogP 3.99
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 11.0
Polar Surface Area 103.62
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Prostanoid EP2 receptor agonist PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105692
EPA CompTox DTXSID40143384
FDA SRS 81LDP7XIYG
PubChem 23729077
SureChEMBL SCHEMBL13399045
ZINC ZINC000068204862
CONTENTS