Compound Detail
CHEMBL4643559
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Basic Information
| ChEMBL ID | CHEMBL4643559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGVZQFTZVRFJMS-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
3.89
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GTPase KRas | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of GFP-tagged KRAS G12V mutant (unknown origin) expressed in MDCK cel... | 32276831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32276831 | 10.1016/j.bmcl.2020.127144 | GTPase KRas | 2 |
Data from ChEMBL 36 via Core Engine