Compound Detail
CHEMBL3495655
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 | CHEMBL3495655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDOWJCCLKPGBJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
2.80
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in H... | 32787107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 4 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 4 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Tyrosyl-tRNA synthetase, putative | 2 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Sialic acid-binding Ig-like lectin 9 | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Wolbachia pipientis | 1 |
| - | 10.6019/CHEMBL3988442 | Protein translocase subunit SecA | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Arginase-2, mitochondrial | 1 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| 32787107 | 10.1021/acs.jmedchem.0c00660 | Palmitoleoyl-protein carboxylesterase NOTUM | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine