Compound Detail
CHEMBL1725485
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Basic Information
| ChEMBL ID | CHEMBL1725485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZFXWCMVFFTFJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.30
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.39 | 5.39 | 4028.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 4028.0 | nM | 5.39 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
Data from ChEMBL 36 via Core Engine