Compound Detail
CHEMBL144632
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N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL144632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACNOKHXCQQGNOV-VHUAAIQRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.4
MW (Da)
1.46
ALogP
12
HBA
6
HBD
273.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 35000.0 | nM | 4.46 | Antiproliferative activity determined by measuring the ability to block [3H]- th... | 8960549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960549 | 10.1021/jm960225d | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine