CHEMBL3908788
SMILES | CN(CCCn1c(=O)sc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 |
InChIKey | XJHGFZGUOALOCT-LNFMTQTQSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 5 |
Rotatable bonds | 14 |
Molecular weight (Da) | 774.2 |
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 | 9.3 | 9.3 | 9.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.38 | 8.38 | 8.38 | ChEMBL |