Compound Detail
CHEMBL4475290
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Basic Information
| ChEMBL ID | CHEMBL4475290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYJRTCSRJMUVRR-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.93
ALogP
4
HBA
1
HBD
82.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.39 | 8.57 | 0.4 | 2 |
| DLD-1 CHEMBL614285 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.52 | 7.52 | 30.1 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.41 | nM | 9.39 | Antiproliferative activity against human MCF7/Topo cells after 72 hrs by MTT ass... | 30503940 |
| DLD-1 | IC50 | = | 2.6 | nM | 8.59 | Antiproliferative activity against human DLD1 cells after 72 hrs by MTT assay | 30503940 |
| EA.hy 926 | IC50 | = | 4.3 | nM | 8.37 | Antiproliferative activity against human EAhy926 cells after 72 hrs by MTT assay | 30503940 |
| A2780 | IC50 | = | 14.8 | nM | 7.83 | Antiproliferative activity against human A2780 cells after 72 hrs by SRB assay | 30503940 |
| Unchecked | IC50 | = | 17.9 | nM | 7.75 | Antiproliferative activity against human A2780cis cells after 72 hrs by SRB assa... | 30503940 |
| HCT-116 | IC50 | = | 30.1 | nM | 7.52 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 30503940 |
| HT-29 | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay | 30503940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30503940 | 10.1016/j.ejmech.2018.11.055 | HT-29 | 13 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | Chorioallantoic membrane | 7 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | 518A2 | 4 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | Unchecked | 4 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | EA.hy 926 | 3 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | A2780 | 2 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | DLD-1 | 1 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | PANC-1 | 1 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | HCT-116 | 1 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine