NAN-190
SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O.Br |
InChIKey | AXRUEPFPTQYHQD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 473.1 |
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-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.1 | 6.13 | 6.17 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.35 | 5.35 | 5.35 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.33 | 7.59 | 7.85 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.03 | 8.25 | 8.47 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.52 | 8.77 | 8.9 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.26 | 6.26 | 6.26 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | PDSP Ki database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.69 | 6.69 | 6.69 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.15 | 9.34 | 9.52 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.97 | 5.97 | 5.97 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 6.11 | 6.11 | 6.11 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.37 | 7.1 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.21 | 6.21 | 6.21 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.66 | 6.66 | 6.66 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |