Compound Detail
CHEMBL5282407
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CN1CCN(c2ccc(Nc3cc4c(cn3)ncc(=O)n4-c3ccc(NS(C)(=O)=O)cc3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5282407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKMZEXMGMODIJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
2.04
ALogP
10
HBA
2
HBD
125.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.16 | 6.115 | 685.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 685.0 | nM | 6.16 | Inhibition of human FLT3 D835Y mutant using TK peptide as substrate incubated fo... | 36638621 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 856.0 | nM | 6.07 | Inhibition of human wild type FLT3 using TK peptide as substrate incubated for 1... | 36638621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36638621 | 10.1016/j.bmc.2023.117155 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
Data from ChEMBL 36 via Core Engine