Compound Detail
CHEMBL5775906
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C=CC(=O)N1CCO[C@H]2CN(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)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL5775906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWQZFWJGYOPHFX-VTOKRDACSA-N |
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
952.2
MW (Da)
5.38
ALogP
13
HBA
2
HBD
180.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.26 | 6.5457 | 55.0 | 7 |
| GTPase NRas CHEMBL2079845 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| GTPase KRas CHEMBL2189121 | IC50 | 6.26 | 5.76 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine