Compound Detail
CHEMBL3616528
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Basic Information
| ChEMBL ID | CHEMBL3616528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDUTVTQACWYOMX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
0.46
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL6065 | IC50 | 4.41 | 4.41 | 38600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 38600.0 | nM | 4.41 | Inhibition of Mycobacterium tuberculosis DHFR | 32298876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32298876 | 10.1016/j.ejmech.2020.112268 | Mycobacterium tuberculosis | 2 |
| 26299350 | 10.1016/j.bmcl.2015.07.095 | CCR4-NOT transcription complex subunit 7 | 1 |
| 32298876 | 10.1016/j.ejmech.2020.112268 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine