Compound Detail
CHEMBL5897850
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C#Cc1cccc2cccc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OCC56CCCN5C[C@@H](F)C6)nc4c3F)c12
Basic Information
| ChEMBL ID | CHEMBL5897850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URQIHIBDFCAWBR-LYNHVNCTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
4.86
ALogP
7
HBA
1
HBD
66.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 8.92 | 7.77 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GTPase KRas | IC50 | = | 1.2 | nM | 8.92 | KRas G12D Binding Assay: Table 2: The ability of a compound to bind to KRAS G12D... | - |
| GTPase KRas | IC50 | = | 242.0 | nM | 6.62 | KRas G12D Binding Assay: Table 2: The ability of a compound to bind to KRAS G12D... | - |
Data from ChEMBL 36 via Core Engine