Compound Detail
CHEMBL4074231
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4074231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHWOBHBDPJEVSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.9
MW (Da)
2.32
ALogP
9
HBA
3
HBD
143.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TNNI3K CHEMBL5260 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TNNI3K | IC50 | = | 13.0 | nM | 7.89 | Inhibition of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}am... | 29561151 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 200.0 | nM | 6.7 | 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 | Serine/threonine-protein kinase TNNI3K | 1 |
| 29561151 | 10.1021/acs.jmedchem.8b00125 | Rattus norvegicus | 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