Compound Detail
CHEMBL4757989
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Basic Information
| ChEMBL ID | CHEMBL4757989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSUVSMBHYBTNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.55
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.57 | 4.57 | 27080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 27080.0 | nM | 4.57 | 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