Compound Detail
CHEMBL253976
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Basic Information
| ChEMBL ID | CHEMBL253976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDHINEMSCUFEIP-VIFPVBQESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
3.59
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2.0 | nM | 8.7 | Activation of SMN2 promoter in mouse NSC34 cells assessed as induction of beta-l... | 18205293 |
| Dihydrofolate reductase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human recombinant DHFR | 18205293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18205293 | 10.1021/jm061475p | Unchecked | 1 |
| 18205293 | 10.1021/jm061475p | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine