Compound Detail
CHEMBL5805515
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C=CC(=O)N1CC[C@H](C(=O)N(C)[C@H](C(=O)N[C@H]2Cc3cc(O)cc(c3)-c3ccc4c(c3)c(c(-c3cnccc3[C@H](C)OC)n4CC)CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C2=O)C(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL5805515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVALWQLJSNYOAZ-PGZWVAKSSA-N |
3
Targets
28
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
904.1
MW (Da)
5.97
ALogP
11
HBA
3
HBD
175.6
PSA (Ų)
0.13
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 28 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 | 6.36 | 55.0 | 10 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 6.0835 | 55.0 | 17 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine