Compound Detail
CHEMBL5424568
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Basic Information
| ChEMBL ID | CHEMBL5424568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOPHVIBXJOSQHB-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
4.57
ALogP
8
HBA
2
HBD
96.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.58
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| T-24 CHEMBL614774 | EC50 | 6.58 | 6.58 | 265.0 | 1 |
| 5637 CHEMBL612565 | EC50 | 6.5 | 6.5 | 314.0 | 1 |
| U2OS CHEMBL615023 | EC50 | 6.43 | 6.43 | 373.0 | 1 |
| UMUC3 CHEMBL612799 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | IC50 | = | 58.0 | nM | 7.24 | Inhibition of CK1epsilon (unknown origin) | 37204207 |
| T-24 | EC50 | = | 265.0 | nM | 6.58 | Antiproliferative activity against human T24 cells assessed as reduction in cell... | 37204207 |
| 5637 | EC50 | = | 314.0 | nM | 6.5 | Antiproliferative activity against human 5637 cells assessed as reduction in cel... | 37204207 |
| U2OS | EC50 | = | 373.0 | nM | 6.43 | Antiproliferative activity against human U2OS cells assessed as reduction in cel... | 37204207 |
| UMUC3 | EC50 | = | 540.0 | nM | 6.27 | Antiproliferative activity against human UMUC3 cells assessed as reduction in ce... | 37204207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Unchecked | 5 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Casein kinase I isoform epsilon | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Casein kinase I isoform delta | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | T-24 | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | 5637 | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | UMUC3 | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine