O-1812
| SMILES | OC[C@H](NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(CCCCC#N)(C)C)C |
| InChIKey | WZQHSBKOWZOASP-QLZKPENWSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 17 |
| Molecular weight (Da) | 414.3 |
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 |
| H3 | HRH3 | Human | Histamine | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| H4 | HRH4 | Human | Histamine | A | pKi | 6.7 | 7.05 | 7.4 | Guide to Pharmacology |
| H2 | HRH2 | Rat | Histamine | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
| H4 | HRH4 | Rat | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| H3 | HRH3 | Rat | Histamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| H4 | HRH4 | Mouse | Histamine | A | pKi | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H2 | HRH2 | Human | Histamine | A | pEC50 | 5.6 | 5.65 | 5.7 | Guide to Pharmacology |