Compound Detail
CHEMBL3935761
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Basic Information
| ChEMBL ID | CHEMBL3935761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBJVQLULEFPBMG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991364 |
| Active Moiety | CHEMBL3991364 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.37
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Cdk4/Cyclin D (unknown origin) using retinoblastoma protein substr... | - |
| CDK2/Cyclin A2 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of Cdk2/Cyclin A (unknown origin) using retinoblastoma protein substr... | - |
| Fibroblast growth factor receptor | IC50 | = | 153.0 | nM | 6.82 | Inhibition of FGFR (unknown origin) using poly (4:1) glutamate-tyrosine substrat... | - |
Data from ChEMBL 36 via Core Engine