Compound Detail
CHEMBL5424715
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Cc1cc(N)nc(-c2c(Cl)cc3c(N4CCNC[C@@H]4C)nc(OC[C@@H]4CCCN4C)nc3c2F)c1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5424715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPOSONRWHCKUDU-GJZGRUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.0
MW (Da)
4.66
ALogP
8
HBA
2
HBD
92.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 7.11 | 7.11 | 76.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GTPase KRas | IC50 | = | 76.9 | nM | 7.11 | Inhibition of GDP-bound biotinylated-KRAS G12D mutant (1 to 169 residues) (unkno... | 37849557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849557 | 10.1021/acsmedchemlett.3c00245 | GTPase KRas | 5 |
Data from ChEMBL 36 via Core Engine