Compound Detail
CHEMBL5181019
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
CN1CC[C@H](NC(=O)CO/N=C2C(=C3/C(=O)Nc4ccccc43)/Nc3ccccc3/2)C1.Cl
Basic Information
| ChEMBL ID | CHEMBL5181019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDJYCVCVOTXQQE-DZKCPLNDSA-N |
| Parent Compound | CHEMBL5221598 |
| Active Moiety | CHEMBL5221598 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.02
ALogP
6
HBA
3
HBD
95.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.72 | 8.71 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.91 | nM | 8.72 | Inhibition of human recombinant His-tagged FLT3/D835Y mutant expressed in baculo... | 35489222 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 2.01 | nM | 8.7 | Inhibition of human recombinant His-tagged FLT3 kinase domain (564 to 958 residu... | 35489222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35489222 | 10.1016/j.ejmech.2022.114356 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | MOLM-14 | 2 |
| 35489222 | 10.1016/j.ejmech.2022.114356 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine