Compound Detail
CHEMBL3604658
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Basic Information
| ChEMBL ID | CHEMBL3604658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICXBLIHPEQODQG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.9
MW (Da)
5.82
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| SJSA-1 CHEMBL2366298 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of p53-MDM2 interaction (unknown origin) by TR-FRET assay | 26141769 |
| SJSA-1 | IC50 | = | 16600.0 | nM | 4.78 | Antiproliferative activity against p53 positive human SJSA1 cells | 26141769 |
| NON-PROTEIN TARGET | IC50 | = | 19600.0 | nM | 4.71 | Antiproliferative activity against p53 deficient human Saos2 cells | 26141769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26141769 | 10.1016/j.bmcl.2015.06.058 | SJSA-1 | 1 |
| 26141769 | 10.1016/j.bmcl.2015.06.058 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
| 26141769 | 10.1016/j.bmcl.2015.06.058 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine