CHEMBL1307319
SMILES | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 |
InChIKey | NEVNMBCJTHZTBS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 420.2 |
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 |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
Y2 | NPY2R | Human | Neuropeptide Y | A | pIC50 | 5.11 | 5.11 | 5.11 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.08 | 4.91 | 5.74 | ChEMBL |