Compound Detail
CHEMBL4846524
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Basic Information
| ChEMBL ID | CHEMBL4846524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYAYWPSYZQFDPU-QHCPKHFHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
2.05
ALogP
7
HBA
2
HBD
101.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| CCD-841CoN CHEMBL4296406 | IC50 | 4.04 | 4.04 | 92230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 150.0 | nM | 6.82 | Cytotoxicity against human HT-29 cells assessed as inhibition of cell growth mea... | 34048881 |
| A549 | IC50 | = | 1940.0 | nM | 5.71 | Cytotoxicity against human A549 cells assessed as inhibition of cell growth meas... | 34048881 |
| CCD-841CoN | IC50 | = | 92230.0 | nM | 4.04 | Cytotoxicity against human CCD-841CoN cells assessed as inhibition of cell growt... | 34048881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34048881 | 10.1016/j.bmcl.2021.128146 | HT-29 | 1 |
| 34048881 | 10.1016/j.bmcl.2021.128146 | A549 | 1 |
| 34048881 | 10.1016/j.bmcl.2021.128146 | CCD-841CoN | 1 |
Data from ChEMBL 36 via Core Engine