Compound Detail
CHEMBL3653025
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CN1CCN([C@H]2CC[C@H](Nc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL3653025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSHWOQYUAQHGEL-YHBQERECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.1
MW (Da)
5.52
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.44
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-T1 CHEMBL2108 | IC50 | 10.96 | 10.96 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-T1 | IC50 | = | 0.011 | nM | 10.96 | IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... | - |
Data from ChEMBL 36 via Core Engine