Compound Detail
CHEMBL4077690
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Basic Information
| ChEMBL ID | CHEMBL4077690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQFZWZXDTCKJGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
2.93
ALogP
5
HBA
4
HBD
106.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL1275220 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia... | 29019697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29019697 | 10.1021/acs.jmedchem.7b01134 | Protein arginine N-methyltransferase 1 | 2 |
Data from ChEMBL 36 via Core Engine