Compound Detail
CHEMBL3970406
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Basic Information
| ChEMBL ID | CHEMBL3970406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIJSEDOWRMNDKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.79
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 9.14 | 9.14 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.72 | nM | 9.14 | Raf IC50 Assay: Compounds disclosed herein were tested against B-Raf (V600E) (PV... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.72 | nM | 9.14 | Raf IC50 Assay Protocol: Compounds disclosed herein were tested against B-Raf (V... | - |
Data from ChEMBL 36 via Core Engine