Compound Detail
CHEMBL291985
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COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2C1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O
Basic Information
| ChEMBL ID | CHEMBL291985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDAFGVXLBFQEJH-XCFOVOSNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
3.95
ALogP
9
HBA
2
HBD
113.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 270.0 | nM | 6.57 | Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using EL... | 9191963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191963 | 10.1021/jm970031d | Choline O-acetyltransferase | 4 |
| 9191963 | 10.1021/jm970031d | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine