Compound Detail
CHEMBL2273117
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Basic Information
| ChEMBL ID | CHEMBL2273117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAWIZNQNRWKHGF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.77
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.0 | 251.2 | 2 |
| NADH-ubiquinone oxidoreductase chain 1 CHEMBL4497 | IC50 | 5.63 | 5.63 | 2344.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 251.19 | nM | 6.6 | Inhibition of Escherichia coli GR19N NDH1 assessed as deaminoNADH-DB reductase a... | 8573592 |
| NADH-ubiquinone oxidoreductase chain 1 | IC50 | = | 2344.23 | nM | 5.63 | Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed ... | 8573592 |
| Unchecked | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of Solanum tuberosum (potato) submitochondrial particle NDH1 assessed... | 8573592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8573592 | 10.1016/0005-2728(95)00131-x | Unchecked | 4 |
| 8573592 | 10.1016/0005-2728(95)00131-x | NADH-ubiquinone oxidoreductase chain 1 | 1 |
Data from ChEMBL 36 via Core Engine