Compound Detail
CHEMBL4103338
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Basic Information
| ChEMBL ID | CHEMBL4103338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVSVIUOGHPWXNH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.69
ALogP
8
HBA
3
HBD
115.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| CDK6/cyclin D1 CHEMBL2111455 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.25 | 8.25 | 5.7 | 1 |
| CDK2/Cyclin A1 CHEMBL3038470 | IC50 | 7.78 | 7.78 | 16.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 2.56 | nM | 8.59 | Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 min... | 29357250 |
| CDK6/cyclin D1 | IC50 | = | 5.09 | nM | 8.29 | Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated fo... | 29357250 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 5.67 | nM | 8.25 | Inhibition of human CDK4/Cyclin D1 using RB protein as substrate preincubated fo... | 29357250 |
| CDK2/Cyclin A1 | IC50 | = | 16.5 | nM | 7.78 | Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated fo... | 29357250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29357250 | 10.1021/acs.jmedchem.7b01261 | MV4-11 | 2 |
| 29357250 | 10.1021/acs.jmedchem.7b01261 | CDK6/cyclin D1 | 1 |
| 29357250 | 10.1021/acs.jmedchem.7b01261 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 29357250 | 10.1021/acs.jmedchem.7b01261 | CDK2/Cyclin A1 | 1 |
| 29357250 | 10.1021/acs.jmedchem.7b01261 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine