Compound Detail
CHEMBL3895697
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Basic Information
| ChEMBL ID | CHEMBL3895697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEIIOKOYNKDHAM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990530 |
| Active Moiety | CHEMBL3990530 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.26
ALogP
8
HBA
2
HBD
92.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 6.27 | 6.27 | 535.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.25 | 6.25 | 556.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Cdk4/Cyclin D (unknown origin) using retinoblastoma protein substr... | - |
| Fibroblast growth factor receptor | IC50 | = | 535.0 | nM | 6.27 | Inhibition of FGFR (unknown origin) using poly (4:1) glutamate-tyrosine substrat... | - |
| CDK2/Cyclin A2 | IC50 | = | 556.0 | nM | 6.25 | Inhibition of Cdk2/Cyclin A (unknown origin) using retinoblastoma protein substr... | - |
Data from ChEMBL 36 via Core Engine