Compound Detail
CHEMBL4084293
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 | CHEMBL4084293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJRVSAOLYGPTNR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
320.9
MW (Da)
4.14
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL1275220 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia... | 29019697 |
| MV4-11 | IC50 | = | 1080.0 | nM | 5.97 | Antiproliferative activity against human MV4-11 cells assessed as decrease in ce... | 29019697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29019697 | 10.1021/acs.jmedchem.7b01134 | MV4-11 | 9 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | Protein arginine N-methyltransferase 1 | 6 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | Unchecked | 3 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | U-937 | 1 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | REH | 1 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | RS4-11 | 1 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | THP-1 | 1 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | KMS-11 | 1 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | KOPN-8 | 1 |
| 29019697 | 10.1021/acs.jmedchem.7b01134 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine