L-741,626
SMILES | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 |
InChIKey | LLBLNMUONVVVPG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 340.1 |
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-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.9 | 8.2 | 8.5 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.82 | 6.12 | 6.66 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.79 | 7.02 | 7.31 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.95 | 8.1 | 8.62 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.95 | 7.95 | 7.95 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.9 | 4.93 | 4.95 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.35 | 8.35 | 8.35 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.35 | 8.35 | 8.35 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.5 | 5.5 | 5.5 | ChEMBL |