CHF-6366
SMILES | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 |
InChIKey | YWSIONULMMKTSJ-UZGNFBRWSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 5 |
Rotatable bonds | 16 |
Molecular weight (Da) | 764.4 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 10.2 | 10.2 | 10.2 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 11.4 | 11.4 | 11.4 | Guide to Pharmacology |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 10.2 | 10.2 | 10.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 10.1 | 10.1 | 10.1 | ChEMBL |