Compound Detail
CHEMBL3731002
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Basic Information
| ChEMBL ID | CHEMBL3731002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWHPMIIHEWOBLH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.0
MW (Da)
2.50
ALogP
7
HBA
3
HBD
76.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 CHEMBL2886 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphogl... | - |
Data from ChEMBL 36 via Core Engine