Compound Detail
CHEMBL5842222
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Basic Information
| ChEMBL ID | CHEMBL5842222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUEFZPFWMGKADA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.19
ALogP
7
HBA
2
HBD
72.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| GTPase NRas CHEMBL2079845 | IC50 | 5.35 | 5.35 | 4430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 17.0 | nM | 7.77 | AlphaLISA Assay: AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin E... | - |
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | IC50 Kinase Assays: Table 8-10: Compounds were tested in 10-dose IC50 mode with ... | - |
| GTPase NRas | IC50 | = | 4430.0 | nM | 5.35 | AlphaLISA Assay: AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin E... | - |
| GTPase NRas | IC50 | = | 4430.0 | nM | 5.35 | IC50 Kinase Assays: Table 8-10: Compounds were tested in 10-dose IC50 mode with ... | - |
Data from ChEMBL 36 via Core Engine