Compound Detail
CHEMBL185721
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Basic Information
| ChEMBL ID | CHEMBL185721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHQPPCOWPBXWBJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.71
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Flap endonuclease 1 CHEMBL5027 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| DNA excision repair protein ERCC-5 CHEMBL4736 | IC50 | 5.73 | 5.73 | 1870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Flap endonuclease 1 | IC50 | = | 1750.0 | nM | 5.76 | Concentration required for 50% inhibition of Flap endonuclease-1 | 15341951 |
| DNA excision repair protein ERCC-5 | IC50 | = | 1870.0 | nM | 5.73 | Concentration required for 50% inhibition of Xeroderma pigmentosum G | 15341951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341951 | 10.1016/j.bmcl.2004.07.028 | Flap endonuclease 1 | 1 |
| 15341951 | 10.1016/j.bmcl.2004.07.028 | DNA excision repair protein ERCC-5 | 1 |
Data from ChEMBL 36 via Core Engine