Compound Detail
CHEMBL4855324
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Basic Information
| ChEMBL ID | CHEMBL4855324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFLWENDTYLYORX-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.9
MW (Da)
2.54
ALogP
11
HBA
2
HBD
123.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Kd 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 CHEMBL1795192 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Cyclin-dependent kinase 12 CHEMBL3559692 | Kd | 7.42 | 7.42 | 38.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 5.58 | 5.58 | 2617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 | Kd | = | 2.0 | nM | 8.7 | Binding affinity towards CDK13 (unknown origin) by Discover X assay | - |
| Casein kinase I isoform delta | IC50 | = | 4.0 | nM | 8.4 | Inhibition of casein kinase 1delta (unknown origin) | - |
| Cyclin-dependent kinase 12 | Kd | = | 38.0 | nM | 7.42 | Binding affinity towards CDK12 (unknown origin) by Discover X assay | - |
| Cyclin-dependent kinase 4 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of CDK4 (unknown origin) | - |
| Cyclin-dependent kinase 6 | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of CDK6 (unknown origin) | - |
| Casein kinase I isoform epsilon | IC50 | = | 2617.0 | nM | 5.58 | Inhibition of casein kinase 1epsilon (unknown origin) | - |
Data from ChEMBL 36 via Core Engine