SB357134
SMILES | COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(c1Br)F |
InChIKey | BLWHAZZXRHTFJE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 520.9 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | 5-HT6 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
DP1 | PD2R | Human | Prostanoid | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 6.47 | 6.99 | 8.37 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pKd | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
TP | TA2R | Human | Prostanoid | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
TP | TA2R | Human | Prostanoid | A | pKi | 7.75 | 8.45 | 9.24 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
DP2 | PD2R2 | Mouse | Prostanoid | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
DP2 | PD2R2 | Mouse | Prostanoid | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 4.48 | 4.48 | 4.48 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 6.12 | 6.9 | 7.68 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pIC50 | 7.85 | 7.98 | 8.08 | ChEMBL |
DP2 | PD2R2 | Rat | Prostanoid | A | pIC50 | 8.14 | 8.14 | 8.14 | Drug Central |
DP2 | PD2R2 | Rat | Prostanoid | A | pIC50 | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |