Compound Detail
CHEMBL1357867
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CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC
Basic Information
| ChEMBL ID | CHEMBL1357867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCGPGUSLTPAGCR-RPPVKKOJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
553.1
MW (Da)
5.49
ALogP
6
HBA
0
HBD
85.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.96 | 5.96 | 1110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1110.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32652435 | 10.1016/j.ejmech.2020.112473 | A549 | 1 |
| 32652435 | 10.1016/j.ejmech.2020.112473 | HT-29 | 1 |
| 32652435 | 10.1016/j.ejmech.2020.112473 | MDA-MB-231 | 1 |
| 32652435 | 10.1016/j.ejmech.2020.112473 | Mycobacterium tuberculosis | 1 |
| 28628823 | 10.1016/j.ejmech.2017.06.005 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine