(S)-41
SMILES | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F |
InChIKey | SYFDHJWBGXAUQK-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 382.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |