Compound Detail
CHEMBL1813137
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
CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1
Basic Information
| ChEMBL ID | CHEMBL1813137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRGWJJXUVWWGDA-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.0
MW (Da)
4.95
ALogP
4
HBA
2
HBD
68.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 10.59 | 10.59 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 0.026 | nM | 10.59 | Cytotoxicity against human A549 cells after 24 hrs | 21767954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21767954 | 10.1016/j.bmc.2011.06.073 | A549 | 1 |
Data from ChEMBL 36 via Core Engine