CLOROTEPINE
SMILES | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 |
InChIKey | XRYLGRGAWQSVQW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 344.1 |
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 |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 9.25 | 9.25 | 9.25 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.18 | 9.18 | 9.18 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.64 | 8.64 | 8.64 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 9.72 | 9.72 | 9.72 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 9.24 | 9.24 | 9.24 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.17 | 9.17 | 9.17 | ChEMBL |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.75 | 8.57 | 9.39 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.89 | 9.16 | 9.42 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.59 | 8.66 | 8.74 | PDSP Ki database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.49 | 8.04 | 8.6 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.9 | 8.67 | 9.3 | PDSP Ki database |
TA1 | TAAR1 | Human | Trace amine | A | pKi | 6.31 | 6.31 | 6.31 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.15 | 9.43 | 9.7 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.05 | 9.38 | 9.7 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 9.64 | 9.64 | 9.64 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.62 | 8.62 | 8.62 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.64 | 8.64 | 8.64 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 9.4 | 9.4 | 9.4 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
TA1 | TAAR1 | Human | Trace amine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 8.66 | 8.66 | 8.66 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.62 | 8.62 | 8.62 | ChEMBL |