CHEMBL3978112
SMILES | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |
InChIKey | AHZPWGGWOSEDTP-WBXFWKJNSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 6 |
Rotatable bonds | 15 |
Molecular weight (Da) | 794.2 |
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 |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.07 | 8.07 | 8.07 | ChEMBL |