VU6012962
SMILES | COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F |
InChIKey | IQNLJJLZIVCGFI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 448.1 |
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 |
BLT2 | LT4R2 | Human | Leukotriene | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.14 | 8.14 | 8.14 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 6.81 | 6.81 | 6.81 | ChEMBL |