Compound Detail
CHEMBL5815522
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CS(=O)(=O)Nc1cccc(N2c3cc(C#N)ccc3C=C3C(=O)N(c4ccc(Cl)cc4)C(=O)NC32)c1
Basic Information
| ChEMBL ID | CHEMBL5815522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLUVHOZLVGOUFA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.0
MW (Da)
4.20
ALogP
6
HBA
2
HBD
122.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 6.09 | nM | 8.21 | Biochemical Potency: The enzymatic activity of TDP2 was measured with a SUMO hTD... | - |
Data from ChEMBL 36 via Core Engine