Compound Detail
CHEMBL5180571
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CN(C)C(=O)c1cc2cnc(Nc3ccc(Sc4cnc(N5CCC6(CC5)Cc5ccccc5[C@H]6N)cn4)c(Cl)c3)nc2n1C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL5180571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDIVXRGNQQOLRV-MGBGTMOVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
694.3
MW (Da)
7.43
ALogP
10
HBA
2
HBD
118.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.28 | 7.28 | 52.1 | 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 | = | 52.1 | nM | 7.28 | 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