Compound Detail
CHEMBL4173408
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Basic Information
| ChEMBL ID | CHEMBL4173408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEGKCLCHGCXBCF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
5.32
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 8.64 | 8.085 | 2.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 4.82 | 4.82 | 15220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 2.3 | nM | 8.64 | Cytotoxicity against human multidrug-resistant CEM/VBL100 cells after 72 hrs by ... | 29197729 |
| CCRF-CEM | IC50 | = | 29.8 | nM | 7.53 | Cytotoxicity against human CEM cells after 72 hrs by MTT assay | 29197729 |
| Unchecked | IC50 | = | 990.0 | nM | 6.0 | Inhibition of bovine brain tubulin polymerization preincubated for 15 mins follo... | 29197729 |
| Casein kinase I isoform delta | IC50 | = | 15220.0 | nM | 4.82 | Inhibition of full length recombinant human GST-tagged CSNK1D expressed in bacul... | 32550997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29197729 | 10.1016/j.ejmech.2017.11.038 | HeLa | 6 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | Unchecked | 4 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | A549 | 3 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | PBL | 2 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | CCRF-CEM | 2 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | Kasumi 1 | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | Jurkat | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | RS4-11 | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | MDA-MB-231 | 1 |
| 29197729 | 10.1016/j.ejmech.2017.11.038 | HT-29 | 1 |
| 32550997 | 10.1021/acsmedchemlett.0c00028 | Casein kinase I isoform delta | 1 |
Data from ChEMBL 36 via Core Engine