CHEMBL1597454
SMILES | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] |
InChIKey | KRGXSGJOUWFLKQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 402.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 5.23 | 5.23 | 5.23 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.81 | 5.81 | 5.81 | ChEMBL |