Compound Detail
CHEMBL220275
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Nc1c(Br)cc(C(=O)O)c(-c2c3cc(Br)c(=O)c(Br)c-3oc3c(Br)c(O)c(Br)cc23)c1Br
Basic Information
| ChEMBL ID | CHEMBL220275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSILLVDSFALROT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
820.7
MW (Da)
8.13
ALogP
5
HBA
3
HBD
113.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| RmtA CHEMBL1075069 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells | 17323938 |
| RmtA | IC50 | = | 22300.0 | nM | 4.65 | Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells | 17323938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17323938 | 10.1021/jm061213n | RmtA | 1 |
| 17323938 | 10.1021/jm061213n | Protein arginine N-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine