Compound Detail
CHEMBL4162254
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 | CHEMBL4162254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJRBRLFSXAZASV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
2.86
ALogP
8
HBA
4
HBD
143.3
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate prein... | 29940115 |
| Histone deacetylase 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of full length human recombinant HDAC1 expressed in baculovirus expre... | 29940115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29940115 | 10.1021/acs.jmedchem.8b00393 | Candida albicans | 12 |
| 29940115 | 10.1021/acs.jmedchem.8b00393 | Tyrosine-protein kinase JAK2 | 1 |
| 29940115 | 10.1021/acs.jmedchem.8b00393 | Histone deacetylase 1 | 1 |
| 29940115 | 10.1021/acs.jmedchem.8b00393 | HL-60 | 1 |
| 29940115 | 10.1021/acs.jmedchem.8b00393 | K562 | 1 |
| 29940115 | 10.1021/acs.jmedchem.8b00393 | HEL | 1 |
Data from ChEMBL 36 via Core Engine