Compound Detail
CHEMBL2021575
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Basic Information
| ChEMBL ID | CHEMBL2021575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXPRYGQEWWODAV-HUUCEWRRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.2
MW (Da)
2.93
ALogP
6
HBA
3
HBD
116.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.3 | 8.0333 | 0.5 | 3 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.17 | 5.17 | 6760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.5 | nM | 9.3 | Inhibition of human recombinant EGFR expressed in insect cells by time-resolved ... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by Western... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 145.0 | nM | 6.84 | Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by Wester... | 20151670 |
| NCI-H1975 | IC50 | = | 6760.0 | nM | 5.17 | Antiproliferative activity against human NCI-H1975 cells after 72 hrs by MTT ass... | 20151670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20151670 | 10.1021/jm901558p | Epidermal growth factor receptor | 5 |
| 20151670 | 10.1021/jm901558p | NCI-H1975 | 1 |
| 20151670 | 10.1021/jm901558p | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine