thiothixene
SMILES | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C |
InChIKey | GFBKORZTTCHDGY-UWVJOHFNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 443.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.92 | 9.92 | 9.92 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
H2 | HRH2 | Human | Histamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |