Compound Detail
CHEMBL301254
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Basic Information
| ChEMBL ID | CHEMBL301254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRCFETUVTSSJSP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.67
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
| Receptor-type tyrosine-protein phosphatase F CHEMBL3521 | IC50 | 5.15 | 5.15 | 7090.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 11970.0 | 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 | = | 1540.0 | nM | 5.81 | In vitro inhibitory activity against recombinant human protein-tyrosine phosphat... | 12113814 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 1650.0 | nM | 5.78 | In vitro inhibitory activity against recombinant human CD45 using fluorescein di... | 12113814 |
| M-phase inducer phosphatase 2 | IC50 | = | 2130.0 | nM | 5.67 | In vitro inhibitory activity against recombinant human Cdc25B using fluorescein ... | 12113814 |
| Receptor-type tyrosine-protein phosphatase F | IC50 | = | 7090.0 | nM | 5.15 | In vitro inhibitory activity against recombinant human LAR using fluorescein dip... | 12113814 |
| Unchecked | IC50 | = | 11970.0 | nM | 4.92 | In vitro inhibitory activity against recombinant human Yop using fluorescein dip... | 12113814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113814 | 10.1016/s0960-894x(02)00331-1 | Unchecked | 2 |
| 12113814 | 10.1016/s0960-894x(02)00331-1 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12113814 | 10.1016/s0960-894x(02)00331-1 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 12113814 | 10.1016/s0960-894x(02)00331-1 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 12113814 | 10.1016/s0960-894x(02)00331-1 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine