Compound Detail
CHEMBL4791276
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Basic Information
| ChEMBL ID | CHEMBL4791276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAUGVIAEKSQIGA-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.30
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.96
EC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-C/Cyclin-dependent kinase 19 CHEMBL3883323 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 8.8 | 8.115 | 1.6 | 2 |
| SW-620 CHEMBL612262 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-C/Cyclin-dependent kinase 19 | IC50 | = | 1.09 | nM | 8.96 | CDK19/Cyclin C Binding Assay: The binding assay relies on the LanthaScreen Eu-K... | - |
| CDK8/Cyclin C | IC50 | = | 1.41 | nM | 8.85 | CDK8/Cyclin C Binding Assay: The binding assay relies on the LanthaScreen Eu-Ki... | - |
| Cyclin-dependent kinase 8 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of CDK8 in human SW-620 cells assessed as reduction in STAT1 S727 pho... | - |
| Serine/threonine-protein kinase haspin | IC50 | = | 1.6 | nM | 8.8 | Inhibition of haspin in human SW620 cells assessed as reduction in IFNgamma-indu... | - |
| Serine/threonine-protein kinase haspin | IC50 | = | 36.8 | nM | 7.43 | Haspin Kinase Assay: The kinase assay relies on ADP-GloKM biochemical kinase ass... | - |
| SW-620 | EC50 | = | 51.0 | nM | 7.29 | Inhibition of colony formation of human SW-620 cells incubated for 11 days (Ever... | - |
Data from ChEMBL 36 via Core Engine