Compound Detail
CHEMBL179143
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Basic Information
| ChEMBL ID | CHEMBL179143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRUDEUQMXYWJRO-SREVYHEPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
4.93
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.48 | 5.48 | 3280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 3280.0 | nM | 5.48 | Inhibitory concentration value against human colon adenocarcinoma HT-29 tumor ce... | 15658869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658869 | 10.1021/jm0310737 | P388 | 1 |
| 15658869 | 10.1021/jm0310737 | A549 | 1 |
| 15658869 | 10.1021/jm0310737 | HT-29 | 1 |
| 15658869 | 10.1021/jm0310737 | SK-MEL-28 | 1 |
| 15658869 | 10.1021/jm0310737 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine