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 |