Compound Detail
CHEMBL5943540
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N#Cc1ccc2c(c1)N(c1cccc(O)c1)C1NC(=O)N(c3ccc(Cl)cc3)C(=O)C1=C2
Basic Information
| ChEMBL ID | CHEMBL5943540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCKTXYJPNGIYLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.9
MW (Da)
4.53
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 7.25 | nM | 8.14 | Biochemical Potency: The enzymatic activity of TDP2 was measured with a SUMO hTD... | - |
Data from ChEMBL 36 via Core Engine