Compound Detail
CHEMBL6028928
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
COc1cccc(-c2n[nH]c3nc(N4CCC5(CC4)COC[C@H]5N)n(C)c(=O)c23)c1Cl
Basic Information
| ChEMBL ID | CHEMBL6028928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHWXESXLBKPIJE-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
1.93
ALogP
8
HBA
2
HBD
111.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.6 | 7.6 | 25.0 | 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 | = | 25.0 | nM | 7.6 | Allosteric Inhibition Assay: SHP2 is allosterically activated through binding of... | - |
Data from ChEMBL 36 via Core Engine