enadoline
SMILES | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2 |
InChIKey | JMBYBVLCYODBJQ-HFMPRLQTSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 396.2 |
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 |
AT1 | AGTR1 | Human | Angiotensin | A | pKd | 8.2 | 8.2 | 8.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.2 | 8.4 | 8.6 | Guide to Pharmacology |
AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |