Compound Detail
CHEMBL5828205
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CCc1cccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OC[C@]56CCCN5[C@@H](COC(=O)NC)CC6)nc4c3F)c12
Basic Information
| ChEMBL ID | CHEMBL5828205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHUDVKKQGLVTAZ-QPZZXJOZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
655.8
MW (Da)
4.92
ALogP
10
HBA
3
HBD
125.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 9.05 | 8.21 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GTPase KRas | IC50 | = | 0.9 | nM | 9.05 | KRas G12D Binding Assay: Table 2: The ability of a compound to bind to KRAS G12D... | - |
| GTPase KRas | IC50 | = | 43.2 | nM | 7.37 | KRas G12D Binding Assay: Table 2: The ability of a compound to bind to KRAS G12D... | - |
Data from ChEMBL 36 via Core Engine