Compound Detail
CHEMBL1946988
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Basic Information
| ChEMBL ID | CHEMBL1946988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSIMGKYEOKOUSI-QPJJXVBHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.34
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| REH CHEMBL2366320 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.32 | 4.32 | 47500.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.09 | 4.09 | 81200.0 | 1 |
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| REH | IC50 | = | 23600.0 | nM | 4.63 | Cytotoxicity against human REH cells after 48 hrs by MTT assay | 23524161 |
| Jurkat | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against human Jurkat cells after 48 hrs by MTT assay | 23524161 |
| L1210 | IC50 | = | 47500.0 | nM | 4.32 | Cytotoxicity against mouse L1210 cells after 24 hrs by MTT assay | 23524161 |
| PBMC | IC50 | = | 81200.0 | nM | 4.09 | Cytotoxicity against human PBMC cells after 24 hrs by MTT assay | 23524161 |
| Low molecular weight protein-tyrosine phosphatase A | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as ... | 22136336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23524161 | 10.1016/j.ejmech.2013.02.037 | HeLa | 4 |
| 22136336 | 10.1021/jm2012062 | Low molecular weight protein-tyrosine phosphatase A | 2 |
| 22136336 | 10.1021/jm2012062 | Phosphotyrosine-protein phosphatase PTPB | 2 |
| 22136336 | 10.1021/jm2012062 | No relevant target | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | HUVEC | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | NIH3T3 | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | PBMC | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | L1210 | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | Jurkat | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | REH | 1 |
| 23524161 | 10.1016/j.ejmech.2013.02.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine