Compound Detail
CHEMBL482211
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Basic Information
| ChEMBL ID | CHEMBL482211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITFLOJJAVYXCTM-OAHLLOKOSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.04
ALogP
7
HBA
3
HBD
87.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Cyclin-dependent kinase 7/ cyclin H CHEMBL2111288 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus-infected ... | 19128055 |
| Cyclin-dependent kinase 2 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human recombinant CDK2/cyclin A expressed in baculovirus-infected ... | 19128055 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human recombinant CDK5/p25 expressed in Escherichia coli | 19128055 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of starfish oocytes CDK1/cyclin B | 19128055 |
| Cyclin-dependent kinase 7/ cyclin H | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant CDK7/cyclin H expressed in baculovirus-infected ... | 19128055 |
| SH-SY5Y | IC50 | = | 15400.0 | nM | 4.81 | Antiproliferative activity against human SH-SY5Y cells after 48 hrs by MTS reduc... | 19128055 |
| HEK293 | IC50 | = | 26800.0 | nM | 4.57 | Antiproliferative activity against human HEK293 cells after 48 hrs by MTS reduct... | 19128055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19128055 | 10.1021/jm801340z | Unchecked | 1 |
| 19128055 | 10.1021/jm801340z | Cyclin-dependent kinase 2 | 1 |
| 19128055 | 10.1021/jm801340z | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 19128055 | 10.1021/jm801340z | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 19128055 | 10.1021/jm801340z | CDK9/cyclin T1 | 1 |
| 19128055 | 10.1021/jm801340z | SH-SY5Y | 1 |
| 19128055 | 10.1021/jm801340z | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine