Compound Detail
CHEMBL4454529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOc1ccc(-c2nc(/C(N)=N\O)c3[nH]c(=O)n(-c4cccc(C(=O)OC)c4)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL4454529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXEATYYLIQJYKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
2.06
ALogP
9
HBA
3
HBD
157.7
PSA (Ų)
0.13
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 11200.0 | nM | 4.95 | Antiproliferative activity against human NCI-H1975 cells incubated for 48 hrs by... | 31376567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31376567 | 10.1016/j.ejmech.2019.07.054 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine