Compound Detail
CHEMBL251430
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Basic Information
| ChEMBL ID | CHEMBL251430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBMSYPMFLZBHDH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
3.74
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.27
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.27 | 7.27 | 54.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 4.26 | 4.26 | 55200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 54.0 | nM | 7.27 | Activation of SMN2 promoter in mouse NSC34 cells assessed as induction of beta-l... | 18205293 |
| Dihydrofolate reductase | IC50 | = | 55200.0 | nM | 4.26 | Inhibition of human recombinant DHFR | 18205293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18205293 | 10.1021/jm061475p | Fibroblast | 3 |
| 18205293 | 10.1021/jm061475p | Unchecked | 2 |
| 18205293 | 10.1021/jm061475p | Plasma | 2 |
| 18205293 | 10.1021/jm061475p | Brain | 2 |
| 18205293 | 10.1021/jm061475p | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine