RU 24969
SMILES | COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O |
InChIKey | AFNQSRYIQUAMNM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 346.2 |
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 |
5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.14 | 8.25 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.83 | 9.53 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.27 | 6.53 | 6.76 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.04 | 6.04 | 6.04 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.68 | 9.6 | PDSP Ki database |
5-HT1A | F6Q2H9 | Bovine | 5-Hydroxytryptamine | A | pKi | 8.42 | 8.42 | 8.42 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.36 | 8.56 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.04 | 8.13 | 8.72 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.36 | 7.64 | 7.78 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.37 | 7.6 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.19 | 6.39 | 7.09 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.67 | 6.14 | 7.72 | PDSP Ki database |
5-HT2B | F6QI78 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.92 | 5.92 | 5.92 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.91 | 7.91 | 7.91 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.33 | 7.33 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.87 | 7.32 | 7.58 | PDSP Ki database |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 7.77 | 7.77 | 7.77 | PDSP Ki database |
5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | PDSP Ki database |
5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
5-HT1D | 5HT1D | Dog | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | PDSP Ki database |
5-HT1B | 5HT1B | Mouse | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | PDSP Ki database |
5-HT1F | 5HT1F | Mouse | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | PDSP Ki database |
5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.49 | 7.49 | 7.49 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |