Compound Detail
CHEMBL182381
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Basic Information
| ChEMBL ID | CHEMBL182381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFGCIABZEPVWCP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
1.50
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Flap endonuclease 1 CHEMBL5027 | IC50 | 10.09 | 8.665 | 0.1 | 2 |
| DNA excision repair protein ERCC-5 CHEMBL4736 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| DNA excision repair protein ERCC-1/DNA repair endonuclease XPF CHEMBL3883316 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Flap endonuclease 1 | IC50 | = | 0.082 | nM | 10.09 | Inhibitory concentration against the Flap endonuclease-1 | 15603939 |
| DNA excision repair protein ERCC-5 | IC50 | = | 0.128 | nM | 9.89 | Inhibitory concentration against the xeroderma pigmentosum G | 15603939 |
| Flap endonuclease 1 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of FEN1 (unknown origin) | 26321360 |
| DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of ERCC1-XPF (unknown origin) by high-throughput fluorescence based i... | 26321360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603939 | 10.1016/j.bmcl.2004.10.086 | Flap endonuclease 1 | 1 |
| 15603939 | 10.1016/j.bmcl.2004.10.086 | DNA excision repair protein ERCC-5 | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | Flap endonuclease 1 | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | Deoxyribonuclease-1 | 1 |
Data from ChEMBL 36 via Core Engine