Compound Detail
CHEMBL5882158
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC(=O)N1CCC2(CCN(C(=O)N(C)[C@H](C(=O)N[C@H]3Cc4nc(cs4)-c4ccc5c(c4)c(c(-c4cccnc4[C@H](C)OC)n5CC)CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C3=O)C(C)C)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5882158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLRQABBLQXSQAD-TWKVQILSSA-N |
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
964.2
MW (Da)
6.78
ALogP
12
HBA
2
HBD
171.5
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 7.26 | 6.5933 | 55.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 6.76 | 55.0 | 8 |
| GTPase NRas CHEMBL2079845 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine