Compound Detail
CHEMBL5556985
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Basic Information
| ChEMBL ID | CHEMBL5556985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHMYLKYERVHQFF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069720 |
| Active Moiety | CHEMBL6069720 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
3.72
ALogP
5
HBA
1
HBD
43.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of CARM1 (unknown origin) using histone H3 (21 to 44 residues) and SA... | 38460270 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of PRMT1 (unknown origin) by AlphaLISA assay | 38460270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38460270 | 10.1016/j.ejmech.2024.116288 | Protein arginine N-methyltransferase 1 | 1 |
| 38460270 | 10.1016/j.ejmech.2024.116288 | Histone-arginine methyltransferase CARM1 | 1 |
Data from ChEMBL 36 via Core Engine