Compound Detail
CHEMBL5790903
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CC[C@H]1CN(C[C@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3C4CCC3COC4)cc21
Basic Information
| ChEMBL ID | CHEMBL5790903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPPKXBXXUDNWIG-GJIVGLNKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.71
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 9.62 | 8.56 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 0.24 | nM | 9.62 | Enzyme Methylation Assay: In this assay, the potency (IC50) of each compound was... | - |
| PRMT5/MEP50 complex | IC50 | = | 31.7 | nM | 7.5 | Enzyme Methylation Assay: In this assay, the potency (IC50) of each compound was... | - |
Data from ChEMBL 36 via Core Engine