Compound Detail
CHEMBL4102486
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Basic Information
| ChEMBL ID | CHEMBL4102486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTFRQXYALXRKMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
2.93
ALogP
8
HBA
3
HBD
118.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.9 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 75.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 20.0 | nM | 7.7 | Inhibition of full length His6-tagged BRAF (unknown origin) expressed in baculov... | 29561151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29561151 | 10.1021/acs.jmedchem.8b00125 | Rattus norvegicus | 3 |
| 29561151 | 10.1021/acs.jmedchem.8b00125 | Serine/threonine-protein kinase TNNI3K | 1 |
| 29561151 | 10.1021/acs.jmedchem.8b00125 | Serine/threonine-protein kinase B-raf | 1 |
| 29561151 | 10.1021/acs.jmedchem.8b00125 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine