Compound Detail
CHEMBL503466
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CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)Nc1cc(/C=C\c2cc(OC)c3c(c2)OCO3)ccc1OC)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL503466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWMFYTUAWZCSKI-LLJAODTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
880.1
MW (Da)
6.19
ALogP
11
HBA
2
HBD
157.4
PSA (Ų)
0.13
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of bovine brain tubulin assembly | 16124759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16124759 | 10.1021/np058033l | Unchecked | 4 |
| 16124759 | 10.1021/np058033l | MCF7 | 2 |
| 16124759 | 10.1021/np058033l | KM-20L2 | 1 |
| 16124759 | 10.1021/np058033l | BXPC-3 | 1 |
| 16124759 | 10.1021/np058033l | P388 | 1 |
| 16124759 | 10.1021/np058033l | SF-295 | 1 |
| 16124759 | 10.1021/np058033l | DU-145 | 1 |
| 16124759 | 10.1021/np058033l | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine