Compound Detail
CHEMBL5849942
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CCn1c(-c2cccnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCN(C(=O)/C=C/CN(C)C)C3(CC3)C1)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL5849942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIIJBCCOWCKKRK-KJCRVJITSA-N |
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
993.3
MW (Da)
6.07
ALogP
13
HBA
2
HBD
174.8
PSA (Ų)
0.13
QED
3
Ro5 Violations
11
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 | 6.635 | 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