LP-12
SMILES | O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1 |
InChIKey | NMZIDFFHGCRAJV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 481.3 |
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 |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.22 | 7.22 | 7.22 | Guide to Pharmacology |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 9.89 | 9.89 | 9.89 | Guide to Pharmacology |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.65 | 6.65 | 6.65 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.89 | 9.89 | 9.89 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.22 | 7.22 | 7.22 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.65 | 6.65 | 6.65 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.89 | 9.89 | 9.89 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.83 | 5.83 | 5.83 | 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 | 5.75 | 5.75 | 5.75 | ChEMBL |