Compound Detail
CHEMBL2179119
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL2179119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFDJAPMETZJFMI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
6.80
ALogP
3
HBA
3
HBD
77.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.62 | 6.7425 | 24.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of p38alpha MAPK | 22951114 |
| Epidermal growth factor receptor | IC50 | = | 24.1 | nM | 7.62 | Inhibition of recombinant human GST-tagged EGFR L858R mutant cytoplasmic domain ... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 49.2 | nM | 7.31 | Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 916.0 | nM | 6.04 | Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytopl... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of wild type EGFR (unknown origin) | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22951114 | 10.1021/jm300852w | Mitogen-activated protein kinase 14 | 3 |
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Epidermal growth factor receptor | 3 |
| 22951114 | 10.1021/jm300852w | Mitogen-activated protein kinase 11 | 1 |
| 22951114 | 10.1021/jm300852w | TRAF2 and NCK-interacting protein kinase | 1 |
| 22951114 | 10.1021/jm300852w | Serine/threonine-protein kinase 36 | 1 |
| 22951114 | 10.1021/jm300852w | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 22951114 | 10.1021/jm300852w | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 22951114 | 10.1021/jm300852w | Cyclin-G-associated kinase | 1 |
| 22951114 | 10.1021/jm300852w | Epidermal growth factor receptor | 1 |
| 22951114 | 10.1021/jm300852w | Casein kinase I isoform epsilon | 1 |
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine