GR 125487
SMILES | COc1[nH]c2c(c1C(=O)OCC1CCN(CC1)CCNS(=O)(=O)C)cc(cc2)F |
InChIKey | SSPCCAYAIDNNJX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 427.2 |
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 |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.15 | 5.15 | 5.15 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.38 | 5.38 | 5.38 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |