Compound Detail
CHEMBL3818535
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Basic Information
| ChEMBL ID | CHEMBL3818535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLZAEQKODIKXMS-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
2.67
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.27 | 7.005 | 54.0 | 2 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.49 | 4.49 | 32470.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.25 | 4.25 | 56490.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.21 | 4.21 | 61350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 54.0 | nM | 7.27 | Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculo... | 31078412 |
| Hepatocyte growth factor receptor | IC50 | = | 113.0 | nM | 6.95 | Inhibition of human recombinant His-tagged cMET expressed in baculovirus express... | 31078412 |
| Epidermal growth factor receptor | IC50 | = | 182.0 | nM | 6.74 | Inhibition of human recombinant GST-tagged EGFR L858R/T790M mutant expressed in ... | 31078412 |
| Dihydroorotate dehydrogenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Plasmodium falciparum DHODH | - |
| A-431 | IC50 | = | 32470.0 | nM | 4.49 | Antiproliferative activity against human A431 cells assessed as reduction in cel... | 31078412 |
| NCI-H460 | IC50 | = | 56490.0 | nM | 4.25 | Antiproliferative activity against human H460 cells assessed as reduction in cel... | 31078412 |
| A549 | IC50 | = | 61350.0 | nM | 4.21 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 31078412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31078412 | 10.1016/j.bmcl.2019.05.004 | Epidermal growth factor receptor | 2 |
| - | 10.1039/C6MD00084C | Dihydroorotate dehydrogenase | 1 |
| 31078412 | 10.1016/j.bmcl.2019.05.004 | Hepatocyte growth factor receptor | 1 |
| 31078412 | 10.1016/j.bmcl.2019.05.004 | A-431 | 1 |
| 31078412 | 10.1016/j.bmcl.2019.05.004 | A549 | 1 |
| 31078412 | 10.1016/j.bmcl.2019.05.004 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine