CHEMBL3656531
SMILES | CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 |
InChIKey | GIDJTLHYVDKSLR-SFHVURJKSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 353.2 |
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 |
TA1 | TAAR1 | Rat | Trace amine | A | pKi | 10.0 | 10.0 | 10.0 | ChEMBL |
TA1 | TAAR1 | Mouse | Trace amine | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |