Compound Detail
CHEMBL302324
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Basic Information
| ChEMBL ID | CHEMBL302324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYLVGQKNNUHXIP-MHHARFCSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
811.9
MW (Da)
3.16
ALogP
13
HBA
5
HBD
215.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.12
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 0.75 | nM | 9.12 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 28240909 |
| HEK293 | IC50 | = | 76.0 | nM | 7.12 | Cytotoxicity against HEK293 cells | 17485207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289636 | 10.1016/j.bmcl.2005.10.063 | Tubulin | 3 |
| 17485207 | 10.1016/j.bmcl.2007.04.058 | MDCK | 3 |
| - | 10.1016/S0960-894X(00)80073-6 | Tubulin | 2 |
| - | 10.1016/S0960-894X(97)00439-3 | P388 | 1 |
| 1672159 | 10.1021/jm00107a017 | Sus scrofa | 1 |
| 17485207 | 10.1016/j.bmcl.2007.04.058 | HEK293 | 1 |
| 14987066 | 10.1021/np030346y | KB | 1 |
| 7264680 | 10.1021/np50015a013 | KB | 1 |
| 7264680 | 10.1021/np50015a013 | P388 | 1 |
| 28240909 | 10.1021/acs.jnatprod.7b00006 | Unchecked | 1 |
| 28240909 | 10.1021/acs.jnatprod.7b00006 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine