Compound Detail
CHEMBL469880
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CCOC(=O)[C@H](Cc1ccccc1)N/C(C)=C1\C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL469880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZJFZJNUCHZQTF-DETRERSUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
3.33
ALogP
9
HBA
3
HBD
139.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.13 | 4.13 | 74400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 74400.0 | nM | 4.13 | Cytotoxicity against mouse L1210 ATCC CCL 219 cells after 48 hrs by MTT assay | 18558490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18558490 | 10.1016/j.bmc.2008.05.069 | CHO | 2 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | L1210 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | NON-PROTEIN TARGET | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | DU-145 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | MCF7 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | U-251 | 1 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | K562 | 1 |
Data from ChEMBL 36 via Core Engine