Compound Detail
CHEMBL5176947
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
COc1ccc(C(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)cc2C(=O)O)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5176947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODSGKWDIHQVNMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
510.0
MW (Da)
4.94
ALogP
6
HBA
2
HBD
91.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L3.6pl CHEMBL4630703 | IC50 | 4.21 | 4.21 | 61600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L3.6pl | IC50 | = | 61600.0 | nM | 4.21 | Cytotoxicity against human L3.6pl cells cells assessed as inhibition of cell gro... | 36382923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36382923 | 10.1021/acs.jmedchem.2c01350 | L3.6pl | 3 |
| 36382923 | 10.1021/acs.jmedchem.2c01350 | CHO-K1 | 2 |
| 36382923 | 10.1021/acs.jmedchem.2c01350 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine