Compound Detail
CHEMBL404941
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Basic Information
| ChEMBL ID | CHEMBL404941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJYTZXCZDNOJW-RAXLEYEMSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.21
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Casein kinase I delta/epsilon CHEMBL3038494 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 4.575 | 6260.0 | 4 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 4.96 | 4.88 | 11000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | IC50 | = | 600.0 | nM | 6.22 | Inhibition of CK1epsilon | 18077363 |
| Casein kinase I isoform delta | IC50 | = | 700.0 | nM | 6.16 | Inhibition of CK1delta | 18077363 |
| Casein kinase I delta/epsilon | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CK1delta/CK1epsilon (unknown origin) | 31400711 |
| Unchecked | IC50 | = | 6260.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Casein kinase I isoform alpha | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of CK1a1 | 18077363 |
| Casein kinase I isoform alpha | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of CK1alpha (unknown origin) | 31400711 |
| Unchecked | IC50 | = | 18400.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 62600.0 | nM | 4.2 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Unchecked | IC50 | = | 69600.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of T-ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Calcium/calmodulin-dependent protein kinase type 1D | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
| 23398362 | 10.1042/bj20121418 | Aurora kinase A | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase NLK | 2 |
Data from ChEMBL 36 via Core Engine