Compound Detail
CHEMBL2289724
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Basic Information
| ChEMBL ID | CHEMBL2289724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHNJEHPJRCIZHR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
3.92
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.26 | 4800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of B-type Bemisia tabaci (sweet potato whitefly) esterase using 31.25... | 18951417 |
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of B-type Bemisia tabaci (sweet potato whitefly) esterase using 500 u... | 18951417 |
| Unchecked | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of B-type Bemisia tabaci (sweet potato whitefly) esterase using 500 u... | 18951417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951417 | 10.1002/ps.1661 | Unchecked | 8 |
Data from ChEMBL 36 via Core Engine