SULOCTIDIL
| SMILES | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 |
| InChIKey | BFCDFTHTSVTWOG-YLJYHZDGSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 337.2 |
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 |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.17 | 5.17 | 5.17 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.35 | 5.35 | 5.35 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 5.29 | 5.29 | 5.29 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.33 | 5.33 | 5.33 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.03 | 6.03 | 6.03 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.35 | 5.35 | 5.35 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |