Compound Detail
CHEMBL5393726
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Basic Information
| ChEMBL ID | CHEMBL5393726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQLNOSSMXQOIFK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.87
ALogP
5
HBA
0
HBD
58.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SKP1-SKP2-CKS1 CHEMBL5482973 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.38 | 4.38 | 42100.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 4.33 | 4.33 | 46900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 52300.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.01 | 4.01 | 96500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SKP1-SKP2-CKS1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of GST-tagged Skp2/Skp1 (unknown origin)/His6-tagged Cks1 (unknown or... | 37204466 |
| MCF7 | IC50 | = | 42100.0 | nM | 4.38 | Antitumor activity against human MCF7 cells assessed as cell growth inhibition i... | 37204466 |
| MGC-803 | IC50 | = | 46900.0 | nM | 4.33 | Antitumor activity against human MGC-803 cells assessed as cell growth inhibitio... | 37204466 |
| Unchecked | IC50 | = | 52300.0 | nM | 4.28 | Antitumor activity against human EC1 cells assessed as cell growth inhibition in... | 37204466 |
| PC-3 | IC50 | = | 96500.0 | nM | 4.01 | Antitumor activity against human PC-3 cells assessed as cell growth inhibition i... | 37204466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37204466 | 10.1021/acs.jmedchem.2c01675 | SKP1-SKP2-CKS1 | 1 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | MGC-803 | 1 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | NCI-H1299 | 1 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | MCF7 | 1 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | Unchecked | 1 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | PC-3 | 1 |
| 37204466 | 10.1021/acs.jmedchem.2c01675 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine