Compound Detail
CHEMBL149177
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Basic Information
| ChEMBL ID | CHEMBL149177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSNCEEGOMTYXKY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.27
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 22000.0 | nM | 4.66 | Concentration that inhibits specific [3H]flunitrazepam binding to benzodiazepine... | 6300400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21060288 | 10.3390/molecules15117775 | Culex quinquefasciatus | 3 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | NON-PROTEIN TARGET | 3 |
| 6300400 | 10.1021/jm00358a008 | GABA-A receptor; anion channel | 2 |
| 21060288 | 10.3390/molecules15117775 | Lipaphis erysimi | 1 |
| 21060288 | 10.3390/molecules15117775 | NON-PROTEIN TARGET | 1 |
| 25819098 | 10.1016/j.bmcl.2015.03.014 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | HL-60 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | A498 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | COLO 205 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | SK-OV-3 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | Detroit 551 | 1 |
| 29551481 | 10.1016/j.bmcl.2018.03.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine