Compound Detail
CHEMBL6043222
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C=CC(=O)N1CC(N(C)C(=O)N(C)[C@H](C(=O)N[C@H]2Cc3nc(cs3)-c3ccc4c(c3)c(c(-c3cccnc3[C@H](C)OC)n4CC(F)(F)F)CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C2=O)C(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL6043222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMVWWKUELMQFEZ-YSTKZGGWSA-N |
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
964.1
MW (Da)
6.15
ALogP
12
HBA
2
HBD
171.5
PSA (Ų)
0.14
QED
3
Ro5 Violations
10
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 |
|---|---|---|---|---|---|
| GTPase NRas CHEMBL2079845 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| GTPase KRas CHEMBL2189121 | IC50 | 7.26 | 6.76 | 55.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 6.6886 | 55.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine