Compound Detail
CHEMBL6012679
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Cn1c(N2CCC3(CC2)CC(F)(F)C[C@H]3N)nc2[nH]nc(-c3ccnc(NC4CC4)c3Cl)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL6012679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYBWNJWKQWLOHI-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
3.29
ALogP
8
HBA
3
HBD
117.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.46 | 7.46 | 35.0 | 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 | = | 35.0 | nM | 7.46 | Allosteric Inhibition Assay: SHP2 is allosterically activated through binding of... | - |
Data from ChEMBL 36 via Core Engine