Compound Detail
CHEMBL3590523
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Basic Information
| ChEMBL ID | CHEMBL3590523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBTWVSILYQXYMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
4.36
ALogP
4
HBA
2
HBD
47.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-lysine methyltransferase SMYD2 CHEMBL2169716 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-lysine methyltransferase SMYD2 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as ... | 26101576 |
| Unchecked | IC50 | = | 12100.0 | nM | 4.92 | Binding Affinity Assay: Binding affinity of compounds having formula (I) to SMYD... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26101576 | 10.1021/acsmedchemlett.5b00124 | N-lysine methyltransferase SMYD2 | 1 |
Data from ChEMBL 36 via Core Engine