Compound Detail
CHEMBL3718465
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Basic Information
| ChEMBL ID | CHEMBL3718465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUZVHXFGAFSONK-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.58
ALogP
5
HBA
3
HBD
82.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
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 |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.7 | 5.87 | 200.0 | 4 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.61 | 6.61 | 245.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 6.38 | 6.38 | 412.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 6.31 | 6.31 | 486.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human KG1a cells assessed as inhibition of ce... | - |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 245.0 | nM | 6.61 | Inhibition of C-terminal His6-tagged human full length Cdk2/N-terminal GST-tagge... | - |
| CDK3/Cyclin E | IC50 | = | 412.0 | nM | 6.38 | Inhibition of C-terminal His6-tagged human full length Cdk3/N-terminal GST-tagge... | - |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 486.0 | nM | 6.31 | Inhibition of C-terminal His6-tagged human full length Cdk1/N-terminal GST-tagge... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human SW620 cells assessed as inhibition of c... | - |
| NON-PROTEIN TARGET | IC50 | = | 3400.0 | nM | 5.47 | Antiproliferative activity against human DU145 cells assessed as inhibition of c... | - |
| NON-PROTEIN TARGET | IC50 | = | 4900.0 | nM | 5.31 | Antiproliferative activity against human IGROV1 cells assessed as inhibition of ... | - |
Data from ChEMBL 36 via Core Engine