Compound Detail
CHEMBL3729537
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Basic Information
| ChEMBL ID | CHEMBL3729537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDGJCGDECRNQPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.9
MW (Da)
4.69
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 CHEMBL2886 | IC50 | 6.05 | 6.05 | 884.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 | IC50 | = | 884.0 | nM | 6.05 | Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphogl... | - |
Data from ChEMBL 36 via Core Engine