Compound Detail
CHEMBL3589913
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Basic Information
| ChEMBL ID | CHEMBL3589913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHBGFVBNHAXGOD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.13
ALogP
4
HBA
2
HBD
53.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Protein arginine N-methyltransferase 6 CHEMBL1275221 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Protein arginine N-methyltransferase 8 CHEMBL3108648 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high fi... | 26101569 |
| Protein arginine N-methyltransferase 6 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed i... | 26101569 |
| Protein arginine N-methyltransferase 8 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escheri... | 26101569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26101569 | 10.1021/acsmedchemlett.5b00071 | Protein arginine N-methyltransferase 1 | 1 |
| 26101569 | 10.1021/acsmedchemlett.5b00071 | Protein arginine N-methyltransferase 8 | 1 |
| 26101569 | 10.1021/acsmedchemlett.5b00071 | Protein arginine N-methyltransferase 6 | 1 |
Data from ChEMBL 36 via Core Engine