Compound Detail
CHEMBL3780444
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Basic Information
| ChEMBL ID | CHEMBL3780444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVOYZOQVDYHUPF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
102.2
MW (Da)
-0.23
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
| Protein arginine N-methyltransferase 6 CHEMBL1275221 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Protein arginine N-methyltransferase 8 CHEMBL3108648 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Protein arginine N-methyltransferase 3 CHEMBL5891 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histon... | 26824386 |
| Histone-arginine methyltransferase CARM1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrat... | 26824386 |
| Protein arginine N-methyltransferase 6 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells usin... | 26824386 |
| Protein arginine N-methyltransferase 8 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrat... | 26824386 |
| Protein arginine N-methyltransferase 3 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrat... | 26824386 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrat... | 26824386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Histone-arginine methyltransferase CARM1 | 2 |
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Protein arginine N-methyltransferase 6 | 1 |
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Protein arginine N-methyltransferase 1 | 1 |
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Protein arginine N-methyltransferase 3 | 1 |
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Protein arginine N-methyltransferase 5 | 1 |
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Protein arginine N-methyltransferase 7 | 1 |
| 26824386 | 10.1021/acs.jmedchem.5b01772 | Protein arginine N-methyltransferase 8 | 1 |
Data from ChEMBL 36 via Core Engine