TY-52156
SMILES | Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C |
InChIKey | XONRRGIRSGNWFP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 363.1 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |