Compound Detail
CHEMBL144589
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N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL144589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHDRIPWTMPMRTA-BEQMOXJMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
2.04
ALogP
8
HBA
6
HBD
186.7
PSA (Ų)
0.14
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.22 | 5.63 | 600.0 | 3 |
| Dynamin-1 CHEMBL4958 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibition of epidermal growth factor receptor (EGFR) phosphorylation of the exo... | 8960549 |
| Dynamin-1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against dynamin1 GTPase expressed in sheep brain | 16302817 |
| Epidermal growth factor receptor | IC50 | = | 4300.0 | nM | 5.37 | Inhibitory activity of compound against Epidermal growth factor receptor autopho... | 8960549 |
| Epidermal growth factor receptor | IC50 | = | 5000.0 | nM | 5.3 | 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 |
| 16302817 | 10.1021/jm040208l | Dynamin-1 | 1 |
Data from ChEMBL 36 via Core Engine