Compound Detail
CHEMBL5930737
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COc1ccnc2[nH]nc(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OC[C@H]5CCCO5)n4)CC3)c12
Basic Information
| ChEMBL ID | CHEMBL5930737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJPHSEMRXVQYAT-NVXWUHKLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
1.81
ALogP
10
HBA
3
HBD
147.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | Ki | 10.82 | 10.82 | 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 | = | 0.015 | nM | 10.82 | Enzyme Assay: AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small... | - |
Data from ChEMBL 36 via Core Engine