Compound Detail
CHEMBL5590473
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CC(C)C(=O)Nc1ccc(-c2nc(-c3cccc(O)c3)c(-c3ccnc(Br)c3)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL5590473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRGTUXAUFCCJFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
5.87
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 1840.0 | nM | 5.74 | Inhibition of B-RAF V600E mutant (unknown origin) | 38954961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38954961 | 10.1016/j.ejmech.2024.116631 | Serine/threonine-protein kinase B-raf | 1 |
Data from ChEMBL 36 via Core Engine