Compound Detail
CHEMBL4541344
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Basic Information
| ChEMBL ID | CHEMBL4541344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMKPWECQJLZZJB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.38
ALogP
8
HBA
4
HBD
144.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| BaF3 CHEMBL614524 | IC50 | 8.76 | 8.1533 | 1.7 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 801.17 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 9.8 | % | Rattus norvegicus |
| T1/2 | 2.77 | hr | Rattus norvegicus |
| Tmax | 0.31 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-13 | IC50 | = | 0.14 | nM | 9.85 | Antiproliferative activity against human MOLM13 cells harboring FLT3-ITD mutant ... | 30939008 |
| MV4-11 | IC50 | = | 0.876 | nM | 9.06 | Antiproliferative activity against human MV4-11 cells harboring FLT3-ITD mutant ... | 30939008 |
| BaF3 | IC50 | = | 1.73 | nM | 8.76 | Antiproliferative activity against mouse BAF3 cells harboring FLT3-ITD mutant me... | 30939008 |
| BaF3 | IC50 | = | 13.63 | nM | 7.87 | Antiproliferative activity against mouse BAF3 cells harboring FLT3-ITD-F691L mut... | 30939008 |
| BaF3 | IC50 | = | 14.74 | nM | 7.83 | Antiproliferative activity against mouse BAF3 cells harboring FLT3-ITD-D835V mut... | 30939008 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of recombinant human FLT3 (564 to end residues) using EAIYAAPFAKKK as... | 30939008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30939008 | 10.1021/acs.jmedchem.9b00223 | ADMET | 4 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | BaF3 | 3 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | MV4-11 | 1 |
| 30939008 | 10.1021/acs.jmedchem.9b00223 | MOLM-13 | 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