Compound Detail
CHEMBL173260
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
COC(=O)C(CCCCCNC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O)OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL173260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQSOXRKXNJFNJM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
743.8
MW (Da)
1.30
ALogP
16
HBA
6
HBD
244.7
PSA (Ų)
0.08
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| CHO CHEMBL613853 | IC50 | 7.89 | 7.735 | 13.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.1 | nM | 8.51 | Compound was tested for the drug concentration that inhibited cell growth by 50%... | 9526570 |
| CHO | IC50 | = | 13.0 | nM | 7.89 | Compound was tested for the drug concentration that inhibited cell growth by 50%... | 9526570 |
| Mus musculus | IC50 | = | 14.0 | nM | 7.85 | Compound was tested for the drug concentration that inhibited cell growth by 50%... | 9526570 |
| CHO | IC50 | = | 26.0 | nM | 7.58 | Drug concentration that inhibit cell growth by 50% compared to un treated contro... | 9526570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526570 | 10.1021/jm9706980 | CHO | 2 |
| 9526570 | 10.1021/jm9706980 | Mus musculus | 1 |
| 9526570 | 10.1021/jm9706980 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine