Compound Detail
CHEMBL5911313
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C[C@@H](Nc1ncnc2cc(=O)n(C34CCC(F)(CC3)CC4)cc12)c1cccc(C(F)F)c1F
Basic Information
| ChEMBL ID | CHEMBL5911313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQLHOXHYDKDBPX-SRIWLZKLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
5.81
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
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