Compound Detail
CHEMBL4539299
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
Cc1ccc(C)n1-c1cc(-c2nnc(-c3cccc(C(=O)NS(C)(=O)=O)c3)o2)ccc1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4539299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMKRZSJWOQZJIK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
3.20
ALogP
8
HBA
2
HBD
144.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Jurkat CHEMBL397 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 10000.0 | nM | 5.0 | Cytotoxic activity against human Jurkat cells assessed as reduction in cell viab... | - |
| Myc proto-oncogene protein | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Data from ChEMBL 36 via Core Engine