Compound Detail
CHEMBL6008959
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N#Cc1ccc2c(c1)N(c1cccc(O)c1)C1NC(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C1=C2
Basic Information
| ChEMBL ID | CHEMBL6008959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVKNSXPWDSAUHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.3
MW (Da)
5.19
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 7.87 | 7.87 | 13.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 13.6 | nM | 7.87 | Biochemical Potency: The enzymatic activity of TDP2 was measured with a SUMO hTD... | - |
Data from ChEMBL 36 via Core Engine