Compound Detail
CHEMBL4436627
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Basic Information
| ChEMBL ID | CHEMBL4436627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQGSBQJSJRLNQH-RSAXXLAASA-N |
| Parent Compound | CHEMBL4557267 |
| Active Moiety | CHEMBL4557267 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.37
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 CHEMBL5406 | IC50 | 10.3 | 8.8 | 0.1 | 2 |
| Protein arginine N-methyltransferase 6 CHEMBL1275221 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-arginine methyltransferase CARM1 | IC50 | = | 0.05 | nM | 10.3 | Affinity Biochemical interaction: (radiometric assay using [3H]SAM as the methyl... | - |
| Histone-arginine methyltransferase CARM1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of full-length Halo-tagged human CARM1 (1 to 608 residues) expressed ... | 27390919 |
| Protein arginine N-methyltransferase 6 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of PRMT6 (unknown origin) | 27390919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Histone-arginine methyltransferase CARM1 | 5 |
| - | 10.6019/CHEMBL5724709 | HEK-293T | 2 |
| - | 10.6019/CHEMBL5724709 | U2OS | 2 |
| - | 10.6019/CHEMBL5724709 | Fibroblast | 2 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5723035 | Histone-arginine methyltransferase CARM1 | 1 |
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Protein arginine N-methyltransferase 7 | 1 |
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Protein arginine N-methyltransferase 5 | 1 |
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Protein arginine N-methyltransferase 3 | 1 |
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Protein arginine N-methyltransferase 1 | 1 |
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Unchecked | 1 |
| 27390919 | 10.1021/acs.jmedchem.6b00668 | Protein arginine N-methyltransferase 8 | 1 |
Data from ChEMBL 36 via Core Engine