Compound Detail
CHEMBL5285740
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
C[C@H]1[C@@H](CCCCNC(=O)CC[C@H]2O[C@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL5285740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCSGLPZHZMICOV-NAGKHITGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
661.9
MW (Da)
6.55
ALogP
9
HBA
1
HBD
102.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.52 | 4.52 | 30500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 30500.0 | nM | 4.52 | Antiproliferative activity against human HT-29 cells assessed as reduction in ce... | 27010926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27010926 | 10.1021/acs.jmedchem.5b01380 | MCF7 | 1 |
| 27010926 | 10.1021/acs.jmedchem.5b01380 | HT-29 | 1 |
| 27010926 | 10.1021/acs.jmedchem.5b01380 | BeWo | 1 |
| 27010926 | 10.1021/acs.jmedchem.5b01380 | P388 | 1 |
| 27010926 | 10.1021/acs.jmedchem.5b01380 | EL4 | 1 |
Data from ChEMBL 36 via Core Engine