compound 1 [PMID: 37741852]
SMILES | CCOC1=CC(C)=NC(=N1)N(CCOC)S(=O)(=O)C2=CC=C(NCC3=C(F)C=NC=C3F)N=C2OC |
InChIKey | APXQLSSVLHYGGM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 524.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 8TB7 |
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 |
GPR61 | GPR61 | Human | A orphans | A | pIC50 | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |