Compound Detail
CHEMBL3612508
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Basic Information
| ChEMBL ID | CHEMBL3612508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYLQSRFNFBZNQA-RQZCQDPDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
1.61
ALogP
9
HBA
0
HBD
132.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.49 | 6.49 | 327.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.93 | 5.93 | 1165.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.19 | nM | 8.92 | Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu... | 26349627 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 327.0 | nM | 6.49 | Inhibition of PI3Kalpha (unknown origin) by radiometric assay | 26349627 |
| CDK9/cyclin T1 | IC50 | = | 1165.0 | nM | 5.93 | Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKK... | 26349627 |
| MV4-11 | IC50 | = | 1190.0 | nM | 5.92 | Cytotoxicity against human MV4-11 cells after 72 hrs by CellTiter-Glo assay | 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 |
Data from ChEMBL 36 via Core Engine