CHEMBL1542918
SMILES | Cc1cc(C2=NN=C(NCCc3ccccc3)SC2)c(C)n1CC1CCCO1 |
InChIKey | IOUBKDMPWNIBMZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 396.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TA1 | TAAR1 | Human | Trace amine | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 6.26 | 6.26 | 6.26 | ChEMBL |