Compound Detail
CHEMBL3731055
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Basic Information
| ChEMBL ID | CHEMBL3731055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTTKFJZGKWJHRB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
2.73
ALogP
8
HBA
3
HBD
109.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 CHEMBL2886 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 | IC50 | = | 596.0 | nM | 6.22 | Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphogl... | - |
Data from ChEMBL 36 via Core Engine