PCCG-4
SMILES | OC(=O)[C@H]([C@H]1[C@H]([C@@H]1C(=O)O)c1ccccc1)N |
InChIKey | IFLWVSHRWAIVQF-KATARQTJSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 235.1 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.6 | 7.75 | 7.9 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |