cloprostenol


SMILES OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O
InChIKey VJGGHXVGBSZVMZ-QIZQQNKQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 424.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8XJN 8XJK

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
DP1 PD2R Human Prostanoid A pKi 4.8 4.8 4.8 Guide to Pharmacology
EP1 PE2R1 Human Prostanoid A pKi 5.9 6.0 6.1 Guide to Pharmacology
EP3 PE2R3 Human Prostanoid A pKi 8.36 8.36 8.36 Guide to Pharmacology
FP PF2R Human Prostanoid A pKi 9.3 9.3 9.3 Guide to Pharmacology
TP TA2R Human Prostanoid A pKi 5.2 5.2 5.2 Guide to Pharmacology
FP PF2R Human Prostanoid A pKi 7.51 7.51 7.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP3 PE2R3 Human Prostanoid A pEC50 6.66 6.66 6.66 Guide to Pharmacology
FP PF2R Human Prostanoid A pEC50 8.0 8.0 8.0 ChEMBL
FP PF2R Human Prostanoid A pIC50 8.7 8.85 9.0 ChEMBL
EP1 PE2R1 Human Prostanoid A pIC50 6.3 6.3 6.3 ChEMBL
EP1 PE2R1 Human Prostanoid A pEC50 6.12 6.12 6.12 ChEMBL
EP2 PE2R2 Human Prostanoid A pIC50 5.43 5.43 5.43 ChEMBL
TP TA2R Human Prostanoid A pEC50 5.62 5.62 5.62 ChEMBL
EP3 PE2R3 Human Prostanoid A pEC50 5.3 5.3 5.3 ChEMBL
EP3 PE2R3 Human Prostanoid A pIC50 6.2 6.2 6.2 ChEMBL