Compound Detail
CHEMBL5170590
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 | CHEMBL5170590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJNWYPWEPZLANP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
1.62
ALogP
8
HBA
3
HBD
116.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.33 | 6.33 | 467.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.42 | 5.42 | 3840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of HDAC6 (unknown origin) | 36272186 |
| MV4-11 | IC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 36272186 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 467.0 | nM | 6.33 | Inhibition of PI3Kalpha (unknown origin) by mobility shift assay | 36272186 |
| HL-60 | IC50 | = | 1140.0 | nM | 5.94 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 36272186 |
| K562 | IC50 | = | 3840.0 | nM | 5.42 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 36272186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36272186 | 10.1016/j.bmc.2022.117067 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 36272186 | 10.1016/j.bmc.2022.117067 | Histone deacetylase 6 | 2 |
| 36272186 | 10.1016/j.bmc.2022.117067 | MV4-11 | 1 |
| 36272186 | 10.1016/j.bmc.2022.117067 | HL-60 | 1 |
| 36272186 | 10.1016/j.bmc.2022.117067 | K562 | 1 |
Data from ChEMBL 36 via Core Engine