Compound Detail
CHEMBL5560201
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5560201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIYCMWPMIATZSN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069371 |
| Active Moiety | CHEMBL6069371 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
2.68
ALogP
5
HBA
1
HBD
57.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of PRMT1 (unknown origin) by AlphaLISA assay | 38460270 |
| Histone-arginine methyltransferase CARM1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of CARM1 (unknown origin) using histone H3 (21 to 44 residues) and SA... | 38460270 |
| HCT-116 | IC50 | = | 3300.0 | nM | 5.48 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 38460270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38460270 | 10.1016/j.ejmech.2024.116288 | HCT-116 | 3 |
| 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