Compound Detail
CHEMBL443488
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CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(OCc3ccccc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL443488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAABRSYVBBUNJK-DLWCDYSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
636.7
MW (Da)
3.98
ALogP
9
HBA
3
HBD
163.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P19 CHEMBL614064 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P19 | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against mouse P19 cells after 18 hrs | 17442565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17442565 | 10.1016/j.bmcl.2006.12.041 | Molecular identity unknown | 1 |
| 17442565 | 10.1016/j.bmcl.2006.12.041 | ADMET | 1 |
| 17442565 | 10.1016/j.bmcl.2006.12.041 | P19 | 1 |
| 17442565 | 10.1016/j.bmcl.2006.12.041 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine