Ro 63-0563
SMILES | CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N |
InChIKey | PTFNKZLSFWJYFJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 307.1 |
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 | 9.35 | 9.35 | 9.35 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | 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 | Rat | Adrenoceptors | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 7.76 | 7.76 | 7.76 | ChEMBL |