Compound Detail
CHEMBL3357181
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Basic Information
| ChEMBL ID | CHEMBL3357181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUOPTICQIVCTKK-VOTSOKGWSA-N |
3
Targets
5
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.65 | 5.18 | 2250.0 | 3 |
| MV4-11 CHEMBL613835 | IC50 | 5.33 | 5.33 | 4660.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.09833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 2250.0 | nM | 5.65 | Inhibition of recombinant FLT3 ITD mutant (unknown origin) by RBC kinase assay | 25456387 |
| MV4-11 | IC50 | = | 4660.0 | nM | 5.33 | Antiproliferative activity against human MV4-11 cells after 72 hrs by luminescen... | 25456387 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 10820.0 | nM | 4.97 | Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay | 25456387 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 12030.0 | nM | 4.92 | Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay | 25456387 |
| NON-PROTEIN TARGET | IC50 | = | 14700.0 | nM | 4.83 | Antiproliferative activity against human THP1 cells after 72 hrs by luminescent ... | 25456387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456387 | 10.1016/j.bmc.2014.10.006 | Receptor-type tyrosine-protein kinase FLT3 | 5 |
| 25456387 | 10.1016/j.bmc.2014.10.006 | NON-PROTEIN TARGET | 3 |
| 25456387 | 10.1016/j.bmc.2014.10.006 | MV4-11 | 2 |
| 25456387 | 10.1016/j.bmc.2014.10.006 | ADMET | 1 |
| 25456387 | 10.1016/j.bmc.2014.10.006 | K562 | 1 |
| 25456387 | 10.1016/j.bmc.2014.10.006 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 25456387 | 10.1016/j.bmc.2014.10.006 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine