CHEMBL271108
| SMILES | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C |
| InChIKey | WHKGYJCRLQITBW-SWJBRDQASA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 22 |
| Molecular weight (Da) | 899.4 |
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 |
| M5 | ACM5 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.76 | 7.76 | 7.76 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.76 | 7.76 | 7.76 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |