Compound Detail
CHEMBL4279008
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Basic Information
| ChEMBL ID | CHEMBL4279008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNGYZARPLVYBRH-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
4.79
ALogP
5
HBA
0
HBD
39.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL2331061 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (645 to 1186 resid... | 30055463 |
| NCI-H460 | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against human H460 cells after 48 hrs by propidium io... | 30055463 |
| HT-29 | IC50 | = | 2400.0 | nM | 5.62 | Antiproliferative activity against human HT-29 cells after 48 hrs by propidium i... | 30055463 |
| MIA PaCa-2 | IC50 | = | 2600.0 | nM | 5.58 | Antiproliferative activity against human MIAPaCa2 cells after 48 hrs by propidiu... | 30055463 |
| PANC-1 | IC50 | = | 2800.0 | nM | 5.55 | Antiproliferative activity against human PANC1 cells after 48 hrs by propidium i... | 30055463 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant h... | 30055463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30055463 | 10.1016/j.ejmech.2018.07.024 | A549 | 11 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | NCI-H460 | 5 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | HT-29 | 5 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | EKVX | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SW-620 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | CCRF-CEM | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | K562 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | MOLT-4 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | RPMI-8226 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SR | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SF-268 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | HOP-62 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | HOP-92 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | NCI-H226 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | NCI-H23 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | U-251 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SNB-75 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SNB-19 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SF-539 | 4 |
| 30055463 | 10.1016/j.ejmech.2018.07.024 | SF-295 | 4 |
Data from ChEMBL 36 via Core Engine