Compound Detail
CHEMBL8744
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Basic Information
| ChEMBL ID | CHEMBL8744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAJJRNXYTWGMML-SDNWHVSQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.13
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 1500.0 | nM | 5.82 | In vitro antitumor activity against A549 (lung) human tumor cell lines. | - |
| SW480 | IC50 | = | 2500.0 | nM | 5.6 | In vitro antitumor activity against SW480 (colon) human tumor cell lines. | - |
| MDA-MB-231 | IC50 | = | 4000.0 | nM | 5.4 | In vitro antitumor activity against MB231 (breast) human tumor cell lines. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00167-9 | A-375 | 1 |
| - | 10.1016/0960-894X(96)00167-9 | A549 | 1 |
| - | 10.1016/0960-894X(96)00167-9 | MDA-MB-231 | 1 |
| - | 10.1016/0960-894X(96)00167-9 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine