Compound Detail
CHEMBL3656855
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COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3nc(NC[C@@H]4CCCCO4)ccc3Cl)c(Cl)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL3656855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQUXMLFYOIBSFZ-WTGUMLROSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
5.78
ALogP
7
HBA
3
HBD
80.3
PSA (Ų)
0.37
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-T1 CHEMBL2108 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-T1 | IC50 | = | 0.01 | nM | 11.0 | IMAP Assay: Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final to... | - |
Data from ChEMBL 36 via Core Engine