Compound Detail
CHEMBL5999586
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CCn1c(-c2cccnc2[C@H](C)OC)c2c3cc(ccc31)-c1cc(O)cc(c1)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C1CCN(C(=O)/C=C/CN(C)C)CC1)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL5999586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJKFUACEGNTMHW-LOKQXVQNSA-N |
2
Targets
15
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
975.2
MW (Da)
6.29
ALogP
12
HBA
3
HBD
178.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 6.26 | 5.5933 | 550.0 | 6 |
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.0378 | 550.0 | 9 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine