Compound Detail
CHEMBL4282921
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CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4282921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYEQRNLCWWZJJT-UDZBTMSNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
3.07
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 CHEMBL4295799 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 resi... | 29693393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29693393 | 10.1021/acs.jnatprod.7b01031 | Neurogenic locus notch homolog protein 1 | 1 |
Data from ChEMBL 36 via Core Engine