Compound Detail
CHEMBL3961341
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Basic Information
| ChEMBL ID | CHEMBL3961341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMJKSZLZJFCAQ-ZBFHGGJFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
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 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.04 | 6.04 | 913.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 6.04 | 6.04 | 913.0 | 1 |
| CDK2/Cyclin A1 CHEMBL3038470 | IC50 | 6.04 | 6.04 | 913.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 6.04 | 6.04 | 913.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrat... | 27171036 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 913.0 | nM | 6.04 | Inhibition of recombinant human His/GST-tagged CDK5/p35 expressed in baculovirus... | 27171036 |
| CDK3/Cyclin E | IC50 | = | 913.0 | nM | 6.04 | Inhibition of recombinant human CDK3/cyclin E expressed in baculovirus infected ... | 27171036 |
| CDK2/Cyclin A1 | IC50 | = | 913.0 | nM | 6.04 | Inhibition of recombinant human His/GST-tagged CDK2/Cyclin A expressed in baculo... | 27171036 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 913.0 | nM | 6.04 | Inhibition of recombinant human CDK1/cyclin B expressed in baculovirus infected ... | 27171036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | CDK3/Cyclin E | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | CDK2/Cyclin A1 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine