Compound Detail
CHEMBL5792114
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C=CS(=O)(=O)N1CC2(CCN([C@H](C(=O)N[C@H]3Cc4cc(O)cc(c4)-c4ccc5c(c4)c(c(-c4cccnc4[C@H](C)OC)n5CC)CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C3=O)C(C)C)C2=O)C1
Basic Information
| ChEMBL ID | CHEMBL5792114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZRIKNNOXPXXAV-PFFAWUIFSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
938.2
MW (Da)
5.48
ALogP
12
HBA
3
HBD
192.7
PSA (Ų)
0.17
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase NRas CHEMBL2079845 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| GTPase KRas CHEMBL2189121 | IC50 | 7.26 | 6.5933 | 55.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 6.46 | 55.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine