Compound Detail
CHEMBL6041852
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C[C@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL6041852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLEJZYABEVAEMT-QFBILLFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
605.6
MW (Da)
2.78
ALogP
12
HBA
2
HBD
155.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | Ki | 10.8 | 10.8 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | Ki | = | 0.016 | nM | 10.8 | Enzyme Assay: AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small... | - |
Data from ChEMBL 36 via Core Engine