Compound Detail
CHEMBL4449318
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CC(C)(C)OC(=O)N1CCN(CCn2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c3c(N)ncnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL4449318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUHUILRNBXNXPF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
603.7
MW (Da)
5.16
ALogP
10
HBA
3
HBD
156.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.6
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 2.536 | nM | 8.6 | Antiproliferative activity against human MV4-11 cells harboring FLT3-ITD mutant ... | 30939008 |
| MOLM-13 | IC50 | = | 4.435 | nM | 8.35 | Antiproliferative activity against human MOLM13 cells harboring FLT3-ITD mutant ... | 30939008 |
| BaF3 | IC50 | = | 8.95 | nM | 8.05 | Antiproliferative activity against mouse BAF3 cells harboring FLT3-ITD mutant me... | 30939008 |
| BaF3 | IC50 | = | 385.4 | nM | 6.41 | Antiproliferative activity against mouse BAF3 cells harboring FLT3-ITD-D835V mut... | 30939008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30939008 | 10.1021/acs.jmedchem.9b00223 | BaF3 | 3 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | MOLM-13 | 1 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | MV4-11 | 1 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | RS4-11 | 1 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine