Compound Detail
CHEMBL4782996
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Basic Information
| ChEMBL ID | CHEMBL4782996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCOSYCAPTABOLQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.37
ALogP
5
HBA
3
HBD
88.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 22400.0 | nM | 4.65 | Antiproliferative activity against human HT-29 cells measured after 72 hrs by su... | 33592537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33592537 | 10.1016/j.ejmech.2021.113274 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine