ML380
| SMILES | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F |
| InChIKey | FJPQEOQGIZSLES-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 494.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKB | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.71 | 6.72 | 6.72 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.27 | 5.27 | 5.27 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pEC50 | 5.51 | 5.51 | 5.51 | ChEMBL |