Compound Detail
CHEMBL1947158
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 | CHEMBL1947158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDZQOHWIPBUZJT-IWQZZHSRSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.55
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.0 | 5.995 | 1000.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.77 | 5.765 | 1700.0 | 2 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant His-tagged FLT3 expressed in baculovirus express... | 27171036 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by l... | 22148278 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant GST-tagged JAK2 expressed in baculovirus express... | 27171036 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs ... | 22148278 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by ... | 22148278 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of recombinant human His6-tagged CDK2/cyclin E expressed in baculovir... | 27171036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148278 | 10.1021/jm201112g | Cyclin-dependent kinase 2/cyclin A | 1 |
| 22148278 | 10.1021/jm201112g | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 22148278 | 10.1021/jm201112g | Tyrosine-protein kinase JAK2 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Tyrosine-protein kinase JAK2 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine