CHEMBL3582270
SMILES | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 |
InChIKey | PXYNXQORCWJBOI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 599.3 |
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 | 10.0 | 10.0 | 10.0 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 8.92 | 8.92 | 8.92 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 8.66 | 8.66 | 8.66 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 9.22 | 9.22 | 9.22 | ChEMBL |