16,16-dimethyl-PGE2


SMILES CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C
InChIKey QAOBBBBDJSWHMU-WMBBNPMCSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 380.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.7 8.7 8.7 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 8.7 8.7 8.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.42 6.42 6.42 ChEMBL
H1 HRH1 Human Histamine A pKi 5.0 7.85 9.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
D2 DRD2 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
H1 HRH1 Human Histamine A pKi 8.06 8.06 8.06 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database