DOB,R(-)
SMILES | CC(C1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)O)OC(=O)C(CO)OC |
InChIKey | OSEDIRANPWGFRX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 370.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.33 | 7.33 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.17 | 6.17 | 6.17 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.63 | 5.63 | 5.63 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.77 | 7.77 | 7.77 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.62 | 8.51 | 9.4 | PDSP Ki database |
5-HT2B | F6QI78 | Bovine | 5-Hydroxytryptamine | A | pKi | 7.22 | 7.22 | 7.22 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |