Compound Detail
CHEMBL1241935
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CC1(C)CC2(C)Nc3cc(-c4ccc5c(c4)NC4(C)CC(C)(C)NC(=S)N54)ccc3N2C(=S)N1
Basic Information
| ChEMBL ID | CHEMBL1241935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRCQSKRHPCULTG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.7
MW (Da)
5.36
ALogP
4
HBA
4
HBD
54.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of CDK1 | 16584130 |
| Cyclin-dependent kinase 5 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of CDK5 | 16584130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 5 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine