Compound Detail
CHEMBL5409579
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Basic Information
| ChEMBL ID | CHEMBL5409579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWDOJEAHJVLJQX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.56
ALogP
3
HBA
2
HBD
54.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human HT-29 cells incubated for 24 hrs by MTT assay | 36463729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36463729 | 10.1016/j.ejmech.2022.114962 | HCT cell line | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | COLO 320 | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | SNU-C1 | 3 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | HCT-116 | 2 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | HT-29 | 1 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | No relevant target | 1 |
| 36463729 | 10.1016/j.ejmech.2022.114962 | RKO | 1 |
Data from ChEMBL 36 via Core Engine