Compound Detail
CHEMBL4877010
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Basic Information
| ChEMBL ID | CHEMBL4877010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQVFOKXWXIXJSC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
4.11
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | IC50 | 5.7 | 5.7 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PKM2 (unknown origin) Hie78, Gln329, Asp178, Ser362, Asn75, Ile51 ... | 34726055 |
| Pyruvate kinase PKM | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PKM2 (unknown origin) | 34355179 |
| Pyruvate kinase PKM | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PKM2 (unknown origin) | 38408027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33711442 | 10.1016/j.bmcl.2021.127918 | Lactoylglutathione lyase | 2 |
| 34726055 | 10.1021/acs.jmedchem.1c00981 | Pyruvate kinase PKM | 1 |
| 34355179 | 10.1039/D1MD00045D | Pyruvate kinase PKM | 1 |
| 38408027 | 10.1021/acs.jmedchem.3c01512 | Pyruvate kinase PKM | 1 |
Data from ChEMBL 36 via Core Engine