Compound Detail
CHEMBL4225306
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
Basic Information
| ChEMBL ID | CHEMBL4225306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFOHDLMNEFLYDT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
5.59
ALogP
8
HBA
1
HBD
62.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-3 CHEMBL5838 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| HCC827 CHEMBL4296422 | IC50 | 7.29 | 7.29 | 51.2 | 1 |
| A549 CHEMBL392 | IC50 | 6.62 | 6.62 | 237.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.25 | 5.25 | 5580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-3 | IC50 | = | 4.2 | nM | 8.38 | Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substr... | 29576272 |
| HCC827 | IC50 | = | 51.2 | nM | 7.29 | Antiproliferative activity against human HCC827 cells after 72 hrs by MTT assay | 29576272 |
| A549 | IC50 | = | 237.0 | nM | 6.62 | Antiproliferative activity against human A549 cells after 72 hrs by MTT assay | 29576272 |
| NCI-H1975 | IC50 | = | 5580.0 | nM | 5.25 | Antiproliferative activity against human NCI-H1975 cells after 72 hrs by MTT ass... | 29576272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29576272 | 10.1016/j.bmc.2018.03.025 | Epidermal growth factor receptor | 3 |
| 29576272 | 10.1016/j.bmc.2018.03.025 | Unchecked | 2 |
| 29576272 | 10.1016/j.bmc.2018.03.025 | HCC827 | 1 |
| 29576272 | 10.1016/j.bmc.2018.03.025 | Receptor tyrosine-protein kinase erbB-3 | 1 |
| 29576272 | 10.1016/j.bmc.2018.03.025 | A549 | 1 |
| 29576272 | 10.1016/j.bmc.2018.03.025 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine