CHEMBL1401122
SMILES | Cc1nn(CCC(=O)NNC(S)=NCC(C)C)c(C)c1Br |
InChIKey | DVBFNSLWOZCCMU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 375.1 |
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 |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.3 | 5.3 | 5.3 | ChEMBL |