Compound Detail
CHEMBL225067
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Basic Information
| ChEMBL ID | CHEMBL225067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDICDSOGTRCHMG-ONEGZZNKSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
1.62
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.41 | 4.33 | 39000.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 33000.0 | nM | 4.48 | Cytotoxicity against human LoVo cells after 72 hrs by MTT assay | 21696954 |
| NON-PROTEIN TARGET | IC50 | = | 39000.0 | nM | 4.41 | Cytotoxicity against human OE21 cells after 72 hrs by MTT assay | 21696954 |
| NON-PROTEIN TARGET | IC50 | = | 56000.0 | nM | 4.25 | Cytotoxicity against human U373 cells after 72 hrs by MTT assay | 21696954 |
| PC-3 | IC50 | = | 63000.0 | nM | 4.2 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 21696954 |
| SK-MEL-28 | IC50 | = | 66000.0 | nM | 4.18 | Cytotoxicity against human SK-MEL-28 cells after 72 hrs by MTT assay | 21696954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696954 | 10.1016/j.bmcl.2011.05.089 | NON-PROTEIN TARGET | 4 |
| 16279782 | 10.1021/jm050567w | L1210 | 2 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | A549 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | PC-3 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | SK-MEL-28 | 1 |
| 21696954 | 10.1016/j.bmcl.2011.05.089 | LoVo | 1 |
| 37638616 | 10.1021/acs.jmedchem.3c01122 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine