Compound Detail
CHEMBL6665
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 | CHEMBL6665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSSOWCUOWLMMRJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.28
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Beta-glucuronidase CHEMBL4814 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Lysozyme C CHEMBL2297 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 1090.0 | nM | 5.96 | Inhibition of human 17beta-HSD1 expressed in HEK293 cell lysates incubated for 1... | 28319389 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 2030.0 | nM | 5.69 | Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 1... | 28319389 |
| Beta-glucuronidase | IC50 | = | 5900.0 | nM | 5.23 | Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutro... | 15013012 |
| Lysozyme C | IC50 | = | 9700.0 | nM | 5.01 | Inhibitory effect of compound on the release of lysozyme in rat neutrophils stim... | 15013012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Rattus norvegicus | 2 |
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Mus musculus | 2 |
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Beta-glucuronidase | 1 |
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Lysozyme C | 1 |
| 21265557 | 10.1021/np1005218 | Candida albicans | 1 |
| 21265557 | 10.1021/np1005218 | Aspergillus niger | 1 |
| 21265557 | 10.1021/np1005218 | Escherichia coli | 1 |
| 21265557 | 10.1021/np1005218 | Pseudomonas aeruginosa | 1 |
| 21265557 | 10.1021/np1005218 | Klebsiella pneumoniae | 1 |
| 21265557 | 10.1021/np1005218 | Staphylococcus aureus | 1 |
| 29932657 | 10.1021/acs.jnatprod.8b00182 | RAW264.7 | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine