Compound Detail
CHEMBL236763
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Basic Information
| ChEMBL ID | CHEMBL236763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSVNSEUFVWGFSM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
2.21
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| SW48 CHEMBL614055 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 7100.0 | nM | 5.15 | Antiproliferative activity against human HCT116 cells after 72 hrs | 17548198 |
| SW480 | IC50 | = | 8800.0 | nM | 5.06 | Antiproliferative activity against human SW480 cells after 72 hrs | 17548198 |
| SW48 | IC50 | = | 9000.0 | nM | 5.05 | Antiproliferative activity against human SW48 cells after 72 hrs | 17548198 |
| MCF7 | IC50 | = | 11000.0 | nM | 4.96 | Antiproliferative activity against human MCF7 cells after 72 hrs | 17548198 |
| NON-PROTEIN TARGET | IC50 | = | 16000.0 | nM | 4.8 | Antiproliferative activity against human Mes-sa cells after 72 hrs | 17548198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17548198 | 10.1016/j.bmc.2007.05.033 | HCT-116 | 4 |
| 17548198 | 10.1016/j.bmc.2007.05.033 | SW48 | 4 |
| 17548198 | 10.1016/j.bmc.2007.05.033 | SW480 | 4 |
| 17548198 | 10.1016/j.bmc.2007.05.033 | MCF7 | 1 |
| 17548198 | 10.1016/j.bmc.2007.05.033 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine