Compound Detail
CHEMBL5270405
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Basic Information
| ChEMBL ID | CHEMBL5270405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTJNTPMGNVPUOK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
4.57
ALogP
6
HBA
3
HBD
74.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 7.93 | 7.93 | 11.6 | 1 |
| A-375 CHEMBL613859 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 11.63 | nM | 7.93 | Inhibition of human CARM1 (140 to 480 residues) incubated for 15 mins measured a... | 34781683 |
| A-375 | IC50 | = | 10900.0 | nM | 4.96 | Antiproliferative activity against human A-375 cells assessed as cell growth inh... | 34781683 |
| BT-549 | IC50 | = | 14100.0 | nM | 4.85 | Antiproliferative activity against human BT-549 cells assessed as cell growth in... | 34781683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34781683 | 10.1021/acs.jmedchem.1c01308 | Histone-arginine methyltransferase CARM1 | 1 |
| 34781683 | 10.1021/acs.jmedchem.1c01308 | BT-549 | 1 |
| 34781683 | 10.1021/acs.jmedchem.1c01308 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine