Compound Detail
CHEMBL4129829
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Basic Information
| ChEMBL ID | CHEMBL4129829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEAJUGIPDBPIEB-JCGDXUMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.1
MW (Da)
-1.03
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 9700.0 | nM | 5.01 | Cytotoxicity against human MCF7 cells after 3 days by sulforhodamine B assay | 28409637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28409637 | 10.1021/acs.jnatprod.6b01069 | HT-29 | 1 |
| 28409637 | 10.1021/acs.jnatprod.6b01069 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine