Compound Detail
CHEMBL109074
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Basic Information
| ChEMBL ID | CHEMBL109074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVZRCNQLWOELDU-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
155.2
MW (Da)
2.75
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.76
Kd 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 1740.0 | nM | 5.76 | Biochemical Notum Enzymatic Activity Assay: An Echo liquid handler was used to a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3871859 | 10.1021/jm00381a009 | Dihydropteridine reductase | 2 |
| 12477346 | 10.1021/jm020160g | Stromelysin-1 | 2 |
| 27165692 | 10.1021/acs.jmedchem.6b00660 | OXA-48 | 2 |
| 15857133 | 10.1021/jm048980b | No relevant target | 1 |
| 22616902 | 10.1021/jm300260v | Indoleamine 2,3-dioxygenase 1 | 1 |
| 27167503 | 10.1021/acs.jmedchem.6b00215 | Peregrin | 1 |
| 33557523 | 10.1021/acs.jmedchem.0c01968 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine