S24014
SMILES | COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC |
InChIKey | GNWDMICUDNQPEK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 353.2 |
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 |
B1 | BKRB1 | Human | Bradykinin | A | pKi | 5.7 | 5.75 | 5.8 | Guide to Pharmacology |
B1 | BKRB1 | Mouse | Bradykinin | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Human | Bradykinin | A | pIC50 | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
B2 | BKRB2 | Mouse | Bradykinin | A | pIC50 | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |