Compound Detail
CHEMBL3983877
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Basic Information
| ChEMBL ID | CHEMBL3983877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXNUEIJSOPTQMH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.53
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Cdk4/Cyclin D (unknown origin) using retinoblastoma protein substr... | - |
| CDK2/Cyclin A2 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of Cdk2/Cyclin A (unknown origin) using retinoblastoma protein substr... | - |
Data from ChEMBL 36 via Core Engine