Compound Detail
CHEMBL3360617
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Basic Information
| ChEMBL ID | CHEMBL3360617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORQCPZXOXGFXMU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
499.3
MW (Da)
4.72
ALogP
9
HBA
1
HBD
117.2
PSA (Ų)
0.20
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.55 | 5.255 | 2820.0 | 2 |
| A549 CHEMBL392 | IC50 | 5.11 | 4.99 | 7830.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.49 | nM | 9.31 | Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay | 25468044 |
| HT-29 | IC50 | = | 2820.0 | nM | 5.55 | Antiproliferative activity against human HT-29 cells assessed as inhibition of c... | 25468044 |
| A549 | IC50 | = | 7830.0 | nM | 5.11 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 25468044 |
| HT-29 | IC50 | = | 10880.0 | nM | 4.96 | Antiproliferative activity against human HT-29 cells assessed as inhibition of c... | 25468044 |
| A549 | IC50 | = | 13540.0 | nM | 4.87 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 25468044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25468044 | 10.1016/j.bmc.2014.10.038 | A549 | 2 |
| 25468044 | 10.1016/j.bmc.2014.10.038 | HT-29 | 2 |
| 25468044 | 10.1016/j.bmc.2014.10.038 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine