Compound Detail
CHEMBL393223
DERRONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL393223 |
| Name | DERRONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSYPWSSGRVZENH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 4.89 | 4.7233 | 13000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 13000.0 | nM | 4.89 | Antiproliferative activity against human U937 cells after 72 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 20000.0 | nM | 4.7 | Antiproliferative activity against human U937 cells after 48 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 26000.0 | nM | 4.58 | Antiproliferative activity against human U937 cells after 24 hrs by WST-8 assay | 17158054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17158054 | 10.1016/j.bmc.2006.09.024 | U-937 | 3 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Tyrosinase | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | RAW264.7 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | Unchecked | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | HepG2 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | A549 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | MCF7 | 1 |
| 28140583 | 10.1021/acs.jnatprod.6b00783 | SW480 | 1 |
| 31427220 | 10.1016/j.bmcl.2019.07.048 | Candida albicans | 1 |
| 31427220 | 10.1016/j.bmcl.2019.07.048 | Nakaseomyces glabratus | 1 |
| 31427220 | 10.1016/j.bmcl.2019.07.048 | Candida parapsilosis | 1 |
| 31427220 | 10.1016/j.bmcl.2019.07.048 | Pichia kudriavzevii | 1 |
Data from ChEMBL 36 via Core Engine