Compound Detail
CHEMBL3612513
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Basic Information
| ChEMBL ID | CHEMBL3612513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAZZFPCNZBTRIQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
389.9
MW (Da)
2.43
ALogP
6
HBA
0
HBD
91.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.75 | 9.75 | 0.2 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.69 | 6.69 | 203.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.177 | nM | 9.75 | Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu... | 26349627 |
| MV4-11 | IC50 | = | 177.0 | nM | 6.75 | Cytotoxicity against human MV4-11 cells after 72 hrs by CellTiter-Glo assay | 26349627 |
| CDK9/cyclin T1 | IC50 | = | 203.0 | nM | 6.69 | Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKK... | 26349627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26349627 | 10.1016/j.bmc.2015.08.035 | CDK9/cyclin T1 | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Cyclin-dependent kinase 7 | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | MV4-11 | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | CDK1/Cyclin A | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Dual specificity protein kinase CLK1 | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Hepatocyte growth factor receptor | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | DNA-dependent protein kinase catalytic subunit | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Glycogen synthase kinase-3 beta | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Tyrosine-protein kinase JAK2 | 1 |
| 26349627 | 10.1016/j.bmc.2015.08.035 | Protein kinase C epsilon type | 1 |
Data from ChEMBL 36 via Core Engine