Compound Detail
CHEMBL3612500
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3612500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLRSZDNRABGRPL-GIJQJNRQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.9
MW (Da)
1.75
ALogP
8
HBA
0
HBD
114.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.97 | 5.97 | 1064.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.19 | 5.19 | 6456.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.03 | 5.03 | 9430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 1064.0 | nM | 5.97 | Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKK... | 26349627 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 6456.0 | nM | 5.19 | 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 | = | 9430.0 | nM | 5.03 | Inhibition of PI3Kalpha (unknown origin) by radiometric 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 |
Data from ChEMBL 36 via Core Engine