Compound Detail
CHEMBL227725
ALLANTODAPSONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL227725 |
| Name | ALLANTODAPSONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPOVFEACCADFBU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
0.12
ALogP
8
HBA
3
HBD
155.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| RmtA CHEMBL1075069 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant PRMT1 by TRF assay | 17432842 |
| RmtA | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of Aspergillus nidulans RmtA by TRF assay | 17432842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17432842 | 10.1021/jm061250e | Protein arginine N-methyltransferase 1 | 6 |
| 20666457 | 10.1021/jm100416n | Protein arginine N-methyltransferase 1 | 2 |
| 17432842 | 10.1021/jm061250e | RmtA | 1 |
Data from ChEMBL 36 via Core Engine