Compound Detail
CHEMBL5171286
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
CN(C)C(=O)c1cc2cnc(Nc3nccc(Sc4cnc(N5CCC6(CC5)Cc5ccccc5[C@H]6N)cn4)c3Cl)nc2n1C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL5171286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REELJZWLLLEQDH-WJOKGBTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
695.3
MW (Da)
6.82
ALogP
11
HBA
2
HBD
131.0
PSA (Ų)
0.19
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of SHP2 (unknown origin) using DiFMUP as substrate incubated for 60 m... | 35447031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35447031 | 10.1021/acs.jmedchem.2c00063 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 35447031 | 10.1021/acs.jmedchem.2c00063 | CDK4/Cyclin D3 | 1 |
Data from ChEMBL 36 via Core Engine