Compound Detail
CHEMBL137989
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Basic Information
| ChEMBL ID | CHEMBL137989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEOJCMQCQZMARJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.04
ALogP
6
HBA
3
HBD
116.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 6.16 | 5.62 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 700.0 | nM | 6.16 | Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP... | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 8300.0 | nM | 5.08 | Inhibition of human recombinant Protein-tyrosine phosphatase 1B. | 12238924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine