Compound Detail
CHEMBL5886048
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)O[C@H](C)n1nnc(COC[C@H](C)N[C@H]2CC[C@H](Nc3cc(-c4cccc(NCC5(C#N)CCOCC5)n4)c(Cl)cn3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL5886048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQVRFXBZJOXOKH-NDBXHCKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
697.2
MW (Da)
5.13
ALogP
15
HBA
3
HBD
183.2
PSA (Ų)
0.18
QED
3
Ro5 Violations
15
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