Compound Detail
CHEMBL5284876
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Basic Information
| ChEMBL ID | CHEMBL5284876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFCPJRZBBVZPPC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
3.90
ALogP
7
HBA
4
HBD
99.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| A-375 CHEMBL613859 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 4.6 | 4.6 | 25200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 3.84 | nM | 8.42 | Inhibition of human CARM1 (140 to 480 residues) incubated for 15 mins measured a... | 34781683 |
| A-375 | IC50 | = | 18200.0 | nM | 4.74 | Antiproliferative activity against human A-375 cells assessed as cell growth inh... | 34781683 |
| BT-549 | IC50 | = | 25200.0 | nM | 4.6 | 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