Compound Detail
CHEMBL4790666
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Basic Information
| ChEMBL ID | CHEMBL4790666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOPIBRPJKPROHO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
3.22
ALogP
7
HBA
3
HBD
133.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate mutase 1 CHEMBL3334418 | IC50 | 5.69 | 5.69 | 2050.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.32 | 4.32 | 47600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate mutase 1 | IC50 | = | 2050.0 | nM | 5.69 | Inhibition of human recombinant PGAM1 by measuring decrease in OD by enzyme base... | 30798052 |
| NCI-H1299 | IC50 | = | 47600.0 | nM | 4.32 | Antiproliferative activity against human H1299 cells assessed as reduction in ce... | 30798052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30798052 | 10.1016/j.ejmech.2019.01.085 | Phosphoglycerate mutase 1 | 1 |
| 30798052 | 10.1016/j.ejmech.2019.01.085 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine