(S)-dimetindene
| SMILES | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C |
| InChIKey | MVMQESMQSYOVGV-OAHLLOKOSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 292.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.72 | 6.72 | 6.72 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.52 | 7.52 | 7.52 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.86 | 6.86 | 6.86 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.53 | 6.53 | 6.53 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.12 | 6.12 | 6.12 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.16 | 7.16 | 7.16 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.57 | 5.93 | 6.12 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.16 | 8.77 | 9.4 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.41 | 6.11 | 6.53 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.47 | 6.35 | 6.86 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.91 | 6.93 | 7.52 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.73 | 6.91 | 8.62 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |