ML 10302
| SMILES | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl |
| InChIKey | RVFIAQAAZUEPPE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 312.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | 5-HT4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 8.45 | 9.0 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 8.97 | 8.97 | 8.97 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 7.97 | 8.31 | 9.0 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.62 | 8.62 | 8.62 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 7.29 | 7.86 | 8.6 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pEC50 | 8.4 | 8.4 | 8.4 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.6 | 4.85 | 5.1 | ChEMBL |