Compound Detail
CHEMBL5796897
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O=C1NC[C@H](O)COc2ccc(F)cc2[C@@H]2C[C@@H](O)CN2c2ccn3ncc1c3n2
Basic Information
| ChEMBL ID | CHEMBL5796897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKRIWWNFBBMUQQ-WWGRRREGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
0.66
ALogP
8
HBA
3
HBD
112.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.0 | 5.8733 | 1000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 1000.0 | nM | 6.0 | Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro... | - |
| High affinity nerve growth factor receptor | IC50 | = | 1550.0 | nM | 5.81 | TrkA Binding Assay: The ability of a compound to bind to TrkA was measured by In... | - |
| High affinity nerve growth factor receptor | IC50 | = | 1550.0 | nM | 5.81 | Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro... | - |
Data from ChEMBL 36 via Core Engine