Compound Detail
CHEMBL5900606
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C[C@@H](COCC(=O)OC(C)(C)C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5900606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNCHAOOIMXRRBN-HJOGWXRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
613.2
MW (Da)
5.59
ALogP
10
HBA
3
HBD
130.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.43 | 8.43 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 3.75 | nM | 8.43 | CDK9 Biochemical Assay: To each well of a 96-well plate was added 5× kinase assa... | - |
Data from ChEMBL 36 via Core Engine