chlorprothixene
SMILES | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl |
InChIKey | WSPOMRSOLSGNFJ-AUWJEWJLSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 315.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Sankey plot
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.53 | 8.53 | 8.53 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.34 | 8.34 | 8.34 | Guide to Pharmacology |
H1 | HRH1 | Human | Histamine | A | pKi | 8.43 | 8.43 | 8.43 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.1 | 8.37 | 8.53 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.53 | 8.53 | 8.53 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.37 | 9.45 | 9.52 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.72 | 8.72 | 8.72 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.51 | 8.52 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.28 | 8.3 | PDSP Ki database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.1 | 7.32 | 7.55 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.74 | 7.74 | 7.74 | PDSP Ki database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.6 | 7.6 | 7.6 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 9.19 | 9.19 | 9.19 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 8.36 | 8.36 | 8.36 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.74 | 7.74 | 7.74 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.34 | 8.34 | 8.34 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.43 | 8.43 | 8.43 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.86 | 6.86 | 6.86 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.52 | 8.52 | 8.52 | PDSP Ki database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.58 | 7.77 | 7.96 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.35 | 8.35 | 8.35 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.06 | 7.53 | 9.0 | ChEMBL |
H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.05 | 8.05 | 8.05 | Drug Central |
H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.97 | 8.97 | 8.97 | ChEMBL |