Compound Detail
CHEMBL310185
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Basic Information
| ChEMBL ID | CHEMBL310185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVJSPQCVDHGYRE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
159.1
MW (Da)
1.02
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.29
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.29 | 6.29 | 519.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Protein S100-A4 CHEMBL2362976 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 519.0 | nM | 6.29 | Inhibitory activity on acetylcholine-induced vasorelaxation of phenylephrine-pre... | 10498190 |
| M-phase inducer phosphatase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity against recombinant human cell division cycle 25B | 11708908 |
| Protein S100-A4 | EC50 | = | 16000.0 | nM | 4.8 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498190 | 10.1016/s0960-894x(99)00411-4 | Rattus norvegicus | 2 |
| 11708908 | 10.1021/jm0102046 | M-phase inducer phosphatase 2 | 1 |
| 11708908 | 10.1021/jm0102046 | Dual specificity protein phosphatase 3 | 1 |
| 11708908 | 10.1021/jm0102046 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine