Compound Detail
CHEMBL4539612
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Cc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccn2c1C
Basic Information
| ChEMBL ID | CHEMBL4539612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGQNQLVRFPHNRX-ZSXHRAQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.19
ALogP
8
HBA
3
HBD
114.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 3.98 | nM | 8.4 | Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production... | 30956011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956011 | 10.1016/j.bmcl.2019.03.042 | PRMT5/MEP50 complex | 1 |
| 30956011 | 10.1016/j.bmcl.2019.03.042 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine