Compound Detail
CHEMBL597200
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Basic Information
| ChEMBL ID | CHEMBL597200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHWGVPOXFZQODO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.3
MW (Da)
5.29
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.07 | 7.3733 | 8.4 | 3 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.11 | 5.11 | 7820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 8.43 | nM | 8.07 | Inhibition of human recombinant EGFR expressed in insect cells by time-resolved ... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 31.0 | nM | 7.51 | Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by Western... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 291.0 | nM | 6.54 | Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by Wester... | 20151670 |
| NCI-H1975 | IC50 | = | 7820.0 | nM | 5.11 | 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 |
Data from ChEMBL 36 via Core Engine