Compound Detail
CHEMBL223818
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Basic Information
| ChEMBL ID | CHEMBL223818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQJNPMYATKPUCG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
1.81
ALogP
6
HBA
0
HBD
82.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.57
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 270.0 | nM | 6.57 | Cytotoxicity against human A549 cells after 3 days by SRB assay | 17035025 |
| HL-60 | IC50 | = | 760.0 | nM | 6.12 | Cytotoxicity against human HL60 cells after 3 days by SRB assay | 17035025 |
| HT-1080 | IC50 | = | 810.0 | nM | 6.09 | Cytotoxicity against human HT1080 cells after 3 days by SRB assay | 17035025 |
| ADMET | IC50 | = | 1060.0 | nM | 5.97 | Cytotoxicity against human SNU638 cells after 3 days by SRB assay | 17035025 |
| Col2 | IC50 | = | 1260.0 | nM | 5.9 | Cytotoxicity against human Col2 cells after 3 days by SRB assay | 17035025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17035025 | 10.1016/j.bmc.2006.09.040 | A549 | 1 |
| 17035025 | 10.1016/j.bmc.2006.09.040 | ADMET | 1 |
| 17035025 | 10.1016/j.bmc.2006.09.040 | Col2 | 1 |
| 17035025 | 10.1016/j.bmc.2006.09.040 | HT-1080 | 1 |
| 17035025 | 10.1016/j.bmc.2006.09.040 | HL-60 | 1 |
| 17035025 | 10.1016/j.bmc.2006.09.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine