Compound Detail
CHEMBL97945
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Basic Information
| ChEMBL ID | CHEMBL97945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USFZGCVGLNMJPL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
316.6
MW (Da)
4.60
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chitinase CHEMBL1795119 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chitinase | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl... | 21534605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21534605 | 10.1021/jm200364n | Onchocerca ochengi | 2 |
| 9685233 | 10.1021/jm9803572 | KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | 1 |
| 21534605 | 10.1021/jm200364n | Chitinase | 1 |
| 21692479 | 10.1021/jm200325s | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 21692479 | 10.1021/jm200325s | Unchecked | 1 |
| 21692479 | 10.1021/jm200325s | PARP 1, 2 and 3 | 1 |
| 21692479 | 10.1021/jm200325s | Poly(ADP-ribose) glycohydrolase | 1 |
Data from ChEMBL 36 via Core Engine