Compound Detail
CHEMBL3885248
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Basic Information
| ChEMBL ID | CHEMBL3885248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLLLQKUUAFZGGZ-UHFFFAOYSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.78
ALogP
4
HBA
3
HBD
75.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.75 | 4.6363 | 18000.0 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 18000.0 | nM | 4.75 | Growth inhibition of mouse L1210 cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 20000.0 | nM | 4.7 | Growth inhibition of human HeLa cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 21000.0 | nM | 4.68 | Growth inhibition of human MIAPaCa2 cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 24000.0 | nM | 4.62 | Growth inhibition of human Molt4/C8 cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of human SW620 cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Growth inhibition of human CEM cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Growth inhibition of human NCI-H460 cells after 72 hrs by MTT assay | 27614409 |
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Growth inhibition of human MCF7 cells after 72 hrs by MTT assay | 27614409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27614409 | 10.1016/j.ejmech.2016.08.021 | NON-PROTEIN TARGET | 8 |
| 27614409 | 10.1016/j.ejmech.2016.08.021 | No relevant target | 3 |
| 27614409 | 10.1016/j.ejmech.2016.08.021 | Unchecked | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Mycobacterium tuberculosis | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Mycobacterium avium complex sp. | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Mycobacterium avium | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | L6 | 1 |
Data from ChEMBL 36 via Core Engine