Compound Detail
CHEMBL154420
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Basic Information
| ChEMBL ID | CHEMBL154420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNTITLLXXOKDTB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.98
ALogP
8
HBA
0
HBD
73.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 21000.0 | nM | 4.68 | Antiproliferative activity against HeLa cells after 72 hrs by MTT assay | 17300184 |
| NCI-H460 | IC50 | = | 24000.0 | nM | 4.62 | Antiproliferative activity against H460 cells after 72 hrs by MTT assay | 17300184 |
| MIA PaCa-2 | IC50 | = | 32000.0 | nM | 4.5 | Antiproliferative activity against MiaPaCa2 cells after 72 hrs by MTT assay | 17300184 |
| SW-620 | IC50 | = | 72000.0 | nM | 4.14 | Antiproliferative activity against SW620 cells after 72 hrs by MTT assay | 17300184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6220152 | 10.1021/jm00358a025 | Gallus gallus | 1 |
| 17300184 | 10.1021/jm061162u | NCI-H460 | 1 |
| 17300184 | 10.1021/jm061162u | HeLa | 1 |
| 17300184 | 10.1021/jm061162u | MIA PaCa-2 | 1 |
| 17300184 | 10.1021/jm061162u | SW-620 | 1 |
| 17300184 | 10.1021/jm061162u | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine