Compound Detail
CHEMBL430233
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Basic Information
| ChEMBL ID | CHEMBL430233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHVGKXHAMXUCEU-OWOJBTEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
555.8
MW (Da)
6.04
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RmtA CHEMBL1075069 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RmtA | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Aspergillus nidulans RmtA | 18348515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18348515 | 10.1021/jm701595q | U-937 | 3 |
| 18348515 | 10.1021/jm701595q | Protein arginine N-methyltransferase 1 | 2 |
| 18348515 | 10.1021/jm701595q | RmtA | 1 |
| 18348515 | 10.1021/jm701595q | Histone-arginine methyltransferase CARM1 | 1 |
| 18348515 | 10.1021/jm701595q | Unchecked | 1 |
| 18348515 | 10.1021/jm701595q | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 18348515 | 10.1021/jm701595q | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine