Compound Detail
CHEMBL5921060
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Cc1nc(N[C@H](C)c2cccc(C(F)(F)C3CCCO3)c2)c2cn(C3(C(F)F)CC3)c(=O)c(F)c2n1
Basic Information
| ChEMBL ID | CHEMBL5921060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUGHUHODOMWWDI-YJJYDOSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
5.44
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SOS1-KRAS CHEMBL5465393 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SOS1-KRAS | IC50 | = | 3.0 | nM | 8.52 | TBDAlphaScreen Binding Assay: Compounds are diluted to a final start concentrati... | - |
Data from ChEMBL 36 via Core Engine