Compound Detail
CHEMBL2437363
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Basic Information
| ChEMBL ID | CHEMBL2437363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKIYWPRXYDNQFG-XMMPIXPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.61
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.04 | 4.04 | 90500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 90500.0 | nM | 4.04 | Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate | 24047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Tyrosinase | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | RAW264.7 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Unchecked | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | HepG2 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | A549 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | MCF7 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine