Compound Detail
CHEMBL4527736
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 | CHEMBL4527736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWMYTSVQLOTTGQ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
2.81
ALogP
9
HBA
2
HBD
92.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
EC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | EC50 | 6.55 | 6.55 | 283.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.52 | 5.52 | 3010.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.4 | 5.4 | 3970.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.333 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of N-terminal 6-His tagged human recombinant PIM3 using PIM tide (ARK... | 30802730 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of His tagged human recombinant PIM1 using PIM tide (ARKRRRHPSGPPTA) ... | 30802730 |
| Serine/threonine-protein kinase pim-1 | EC50 | = | 283.0 | nM | 6.55 | Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phospho... | 30802730 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 3010.0 | nM | 5.52 | Inhibition of His tagged human recombinant PIM2 using PIM tide (ARKRRRHPSGPPTA) ... | 30802730 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 3970.0 | nM | 5.4 | Inhibition of human FLT3 using EAIYAAPFAKKK as substrate incubated for 60 mins b... | 30802730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Serine/threonine-protein kinase pim-1 | 3 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | ADMET | 2 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Serine/threonine-protein kinase pim-2 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Serine/threonine-protein kinase pim-3 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 30802730 | 10.1016/j.ejmech.2019.02.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine