Compound Detail
CHEMBL4777844
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Basic Information
| ChEMBL ID | CHEMBL4777844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMLSMKNXYWXSKI-VOTSOKGWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.7
MW (Da)
4.02
ALogP
8
HBA
1
HBD
91.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.58 | 7.58 | 26.4 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 0.495 | nM | 9.3 | Inhibition of CDK9 (unknown origin) | - |
| Cyclin-dependent kinase 2 | IC50 | = | 11.5 | nM | 7.94 | Inhibition of CDK2 (unknown origin) | - |
| Jurkat | IC50 | = | 26.35 | nM | 7.58 | Antiproliferative activity against human Jurkat cells measured after 72 hrs by C... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 132.0 | nM | 6.88 | Inhibition of CDK7 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine