Compound Detail
CHEMBL347759
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Basic Information
| ChEMBL ID | CHEMBL347759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INKUWRYTZMLPQI-BJMVGYQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.12
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 501.19 | nM | 6.3 | Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase. | 8941396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941396 | 10.1021/jm960491r | Dihydrofolate reductase | 1 |
| 8941396 | 10.1021/jm960491r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine