treprostinil


SMILES CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O
InChIKey PAJMKGZZBBTTOY-ZFORQUDYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 390.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8X7A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pKi 8.4 8.4 8.4 Guide to Pharmacology
EP1 PE2R1 Human Prostanoid A pKi 6.7 6.7 6.7 Guide to Pharmacology
EP2 PE2R2 Human Prostanoid A pKi 8.4 8.4 8.4 Guide to Pharmacology
EP3 PE2R3 Human Prostanoid A pKi 5.6 5.6 5.6 Guide to Pharmacology
IP PI2R Human Prostanoid A pKi 7.49 7.49 7.49 Guide to Pharmacology
DP1 PD2R Human Prostanoid A pKi 8.08 8.08 8.08 Drug Central
EP1 PE2R1 Human Prostanoid A pKi 8.17 8.17 8.17 Drug Central
EP2 PE2R2 Human Prostanoid A pKi 8.08 8.08 8.08 Drug Central
EP3 PE2R3 Human Prostanoid A pKi 8.25 8.25 8.25 Drug Central
EP4 PE2R4 Human Prostanoid A pKi 6.1 6.1 6.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
IP PI2R Human Prostanoid A pEC50 8.72 8.72 8.72 Guide to Pharmacology
IP PI2R Human Prostanoid A pEC50 8.72 8.72 8.72 ChEMBL
DP1 PD2R Human Prostanoid A pEC50 9.22 9.22 9.22 ChEMBL
EP1 PE2R1 Human Prostanoid A pEC50 6.54 6.54 6.54 ChEMBL
EP2 PE2R2 Human Prostanoid A pEC50 8.21 8.21 8.21 ChEMBL
EP4 PE2R4 Human Prostanoid A pEC50 8.17 8.17 8.17 Drug Central
IP PI2R Human Prostanoid A pEC50 8.06 8.06 8.06 Drug Central
EP4 PE2R4 Human Prostanoid A pEC50 6.7 6.7 6.7 Guide to Pharmacology