Compound Detail
CHEMBL86998
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL86998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWQLBVFFLIHXHA-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
3.58
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.02 | 7900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7900.0 | nM | 5.1 | Tested for its ability to inhibit antennal esterases of Spodoptera littoralis wi... | - |
| Unchecked | IC50 | = | 11400.0 | nM | 4.94 | Tested for the ability to inhibit antennal esterases of Spodoptera littoralis wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80722-8 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine