Compound Detail
CHEMBL3673435
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Basic Information
| ChEMBL ID | CHEMBL3673435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMJKSZLZJFCAQ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.14
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.07 | 6.07 | 857.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.04 | 6.04 | 913.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 5.87 | 5.87 | 1337.0 | 1 |
| Cyclin-dependent kinase 3 CHEMBL4442 | IC50 | 5.84 | 5.84 | 1449.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.73 | 5.73 | 1877.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 10.0 | nM | 8.0 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 99.0 | nM | 7.0 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 857.0 | nM | 6.07 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 913.0 | nM | 6.04 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
| Cyclin-dependent kinase 5 | IC50 | = | 1337.0 | nM | 5.87 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
| Cyclin-dependent kinase 3 | IC50 | = | 1449.0 | nM | 5.84 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 1877.0 | nM | 5.73 | In Vitro Kinase Inhibition Assay: In vitro kinase assay analysis may be performe... | - |
Data from ChEMBL 36 via Core Engine