Compound Detail
CHEMBL183792
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL183792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCPLNXWOFQOPTD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
0.30
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Flap endonuclease 1 CHEMBL5027 | IC50 | 10.85 | 10.85 | 0.0 | 1 |
| DNA excision repair protein ERCC-5 CHEMBL4736 | IC50 | 9.84 | 9.84 | 0.1 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Flap endonuclease 1 | IC50 | = | 0.014 | nM | 10.85 | Inhibitory concentration against the Flap endonuclease-1 | 15603939 |
| DNA excision repair protein ERCC-5 | IC50 | = | 0.145 | nM | 9.84 | Inhibitory concentration against the xeroderma pigmentosum G | 15603939 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of RNH activity of recombinant HIV1 reverse transcriptase RNase H ass... | 29031062 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of HIV1 integrase pre-incubated for 10 mins before DNA substrate addi... | 29031062 |
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 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Gag-Pol polyprotein | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus type 1 integrase | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | Human immunodeficiency virus 1 | 1 |
| 29031062 | 10.1016/j.ejmech.2017.09.054 | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine