Compound Detail
CHEMBL4641226
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4641226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAFHXBBZJZYUIJ-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
4.08
ALogP
7
HBA
1
HBD
88.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.97 | 7.97 | 10.8 | 1 |
| CDK2/Cyclin A1 CHEMBL3038470 | IC50 | 7.97 | 7.97 | 10.8 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | IC50 | 6.34 | 6.34 | 457.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.34 | 6.34 | 457.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 3.16 | nM | 8.5 | Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed ... | 32502343 |
| Cyclin-dependent kinase 9 | IC50 | = | 3.16 | nM | 8.5 | Inhibition of CDK9 (unknown origin) | - |
| CDK2/Cyclin A1 | IC50 | = | 10.8 | nM | 7.97 | Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 ... | 32502343 |
| Cyclin-dependent kinase 2 | IC50 | = | 10.8 | nM | 7.97 | Inhibition of CDK2 (unknown origin) | - |
| Jurkat | IC50 | = | 70.99 | nM | 7.15 | Antiproliferative activity against human Jurkat cells measured after 72 hrs by C... | - |
| CDK7/Cyclin H/MNAT1 | IC50 | = | 457.0 | nM | 6.34 | Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expre... | 32502343 |
| Cyclin-dependent kinase 7 | IC50 | = | 457.0 | nM | 6.34 | Inhibition of CDK7 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32502343 | 10.1021/acs.jmedchem.9b01929 | CDK2/Cyclin A1 | 1 |
| 32502343 | 10.1021/acs.jmedchem.9b01929 | CDK7/Cyclin H/MNAT1 | 1 |
| 32502343 | 10.1021/acs.jmedchem.9b01929 | CDK9/cyclin T1 | 1 |
| 32502343 | 10.1021/acs.jmedchem.9b01929 | Cyclin-dependent kinase 12/13 | 1 |
Data from ChEMBL 36 via Core Engine