Compound Detail
CHEMBL4643715
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Basic Information
| ChEMBL ID | CHEMBL4643715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIBKQAWKSNVLKG-GHVJWSGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
582.8
MW (Da)
10.06
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against HEK293 cells after 68 hrs by MTT assay | 32243160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32243160 | 10.1021/acs.jnatprod.0c00027 | KB 3-1 | 1 |
| 32243160 | 10.1021/acs.jnatprod.0c00027 | NCI-H460 | 1 |
| 32243160 | 10.1021/acs.jnatprod.0c00027 | HEK293 | 1 |
| 32243160 | 10.1021/acs.jnatprod.0c00027 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine