Compound Detail
CHEMBL5406988
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Basic Information
| ChEMBL ID | CHEMBL5406988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAFMCZRVWKPFKV-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
4.07
ALogP
5
HBA
1
HBD
70.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SKP1-SKP2-CKS1 CHEMBL5482973 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.54 | 4.54 | 28600.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.52 | 4.52 | 30400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.33 | 4.33 | 47100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.29 | 4.29 | 51800.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 4.23 | 4.23 | 59300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SKP1-SKP2-CKS1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of GST-tagged Skp2/Skp1 (unknown origin)/His6-tagged Cks1 (unknown or... | 37204466 |
| PC-3 | IC50 | = | 28600.0 | nM | 4.54 | Antitumor activity against human PC-3 cells assessed as cell growth inhibition i... | 37204466 |
| NCI-H1299 | IC50 | = | 30400.0 | nM | 4.52 | Antitumor activity against human NCI-H1299 cells assessed as cell growth inhibit... | 37204466 |
| MCF7 | IC50 | = | 47100.0 | nM | 4.33 | Antitumor activity against human MCF7 cells assessed as cell growth inhibition i... | 37204466 |
| Unchecked | IC50 | = | 51800.0 | nM | 4.29 | Antitumor activity against human EC1 cells assessed as cell growth inhibition in... | 37204466 |
| MGC-803 | IC50 | = | 59300.0 | nM | 4.23 | Antitumor activity against human MGC-803 cells assessed as cell growth inhibitio... | 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