Compound Detail
CHEMBL5287487
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Basic Information
| ChEMBL ID | CHEMBL5287487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWTMFTAKBRZAHX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.8
MW (Da)
3.33
ALogP
6
HBA
3
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.16
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate mutase 1 CHEMBL3334418 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| NCI-H1299 CHEMBL612255 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| A549 CHEMBL392 | EC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate mutase 1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of recombinant PGAM1 (unknown origin) assessed as decrease in absorba... | 36215859 |
| NCI-H1299 | EC50 | = | 6900.0 | nM | 5.16 | Antiproliferative activity against human NCI-H1299 cells assessed as reduction i... | 36215859 |
| A549 | EC50 | = | 12700.0 | nM | 4.9 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 36215859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36215859 | 10.1016/j.ejmech.2022.114798 | Phosphoglycerate mutase 1 | 1 |
| 36215859 | 10.1016/j.ejmech.2022.114798 | NCI-H1299 | 1 |
| 36215859 | 10.1016/j.ejmech.2022.114798 | A549 | 1 |
Data from ChEMBL 36 via Core Engine