Compound Detail
CHEMBL3338618
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 | CHEMBL3338618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKFPLEICQLYGFL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3558428 |
| Active Moiety | CHEMBL3558428 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
342.6
MW (Da)
6.53
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against CHOK1 cells after 24 hrs by MTT assay | 25442318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Staphylococcus aureus | 6 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Klebsiella pneumoniae | 6 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Staphylococcus epidermidis | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Enterococcus sp. | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Escherichia coli | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Pseudomonas aeruginosa | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Candida albicans | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Candida tropicalis | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Pichia kudriavzevii | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Nakaseomyces glabratus | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Trichosporon asahii | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Aspergillus fumigatus | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Lichtheimia corymbifera | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | Trichophyton mentagrophytes | 3 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | No relevant target | 2 |
| 25442318 | 10.1016/j.bmcl.2014.09.060 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine