LP-211
SMILES | N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1 |
InChIKey | BQEDZLDNNBDKDS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 466.3 |
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-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.24 | 9.24 | 9.24 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 8.43 | 9.24 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.42 | 6.6 | 6.73 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.77 | 6.85 | ChEMBL |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.24 | 9.24 | 9.24 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.73 | 6.73 | 6.73 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.73 | 6.73 | 6.73 | Guide to Pharmacology |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.24 | 9.24 | 9.24 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pEC50 | 6.22 | 6.22 | 6.22 | ChEMBL |