misoprostol (methyl ester)


SMILES CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C
InChIKey OJLOPKGSLYJEMD-URPKTTJQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 382.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Human Prostanoid A pKi 5.0 6.34 7.64 PDSP Ki database
DP1 PD2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP1 PE2R1 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP2 PE2R2 Human Prostanoid A pKi 8.12 8.12 8.12 Drug Central
EP2 PE2R2 Human Prostanoid A pKi 5.0 5.0 5.0 Guide to Pharmacology
EP3 PE2R3 Human Prostanoid A pKi 8.09 8.09 8.09 Drug Central
EP3 PE2R3 Human Prostanoid A pKi 6.5 7.3 8.1 PDSP Ki database
EP3 PE2R3 Human Prostanoid A pKi 6.5 6.5 6.5 Guide to Pharmacology
EP4 PE2R4 Human Prostanoid A pKi 8.12 8.12 8.12 Drug Central
EP4 PE2R4 Human Prostanoid A pKi 5.3 5.3 5.3 Guide to Pharmacology
FP PF2R Human Prostanoid A pKi 8.3 8.3 8.3 Drug Central
FP PF2R Human Prostanoid A pKi 5.0 5.02 5.03 PDSP Ki database
IP PI2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP1 PE2R1 Mouse Prostanoid A pKi 6.92 6.92 6.92 PDSP Ki database
EP3 PE2R3 Mouse Prostanoid A pKi 7.17 7.17 7.17 PDSP Ki database
EP3 PE2R3 Bovine Prostanoid A pKi 7.27 7.43 7.6 PDSP Ki database
EP4 PE2R4 Mouse Prostanoid A pKi 7.17 7.17 7.17 PDSP Ki database
EP2 PE2R2 Mouse Prostanoid A pKi 6.6 6.6 6.6 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 4.8 4.8 4.8 ChEMBL