Compound Detail
CHEMBL151831
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
Basic Information
| ChEMBL ID | CHEMBL151831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDYBYKXWYDVVKP-UHFFFAOYSA-N |
7
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.18
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.52
EC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 7.52 | 7.46 | 30.0 | 2 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 7.11 | 7.11 | 77.0 | 1 |
| MRC5 CHEMBL614181 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.3 | 5.965 | 500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 30.0 | nM | 7.52 | Growth inhibition of human HCT116 cells after 72 hrs by MTT assay | 17343370 |
| HCT-116 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against HCT116 colon cancer cell line | 12570375 |
| Trypanosoma brucei | EC50 | = | 77.0 | nM | 7.11 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei after ... | 22264753 |
| MRC5 | EC50 | = | 180.0 | nM | 6.75 | Cytotoxicity against human MRC5 cells after 3 days by resazurin-based fluorescen... | 22264753 |
| MCF7 | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity against MCF-7 mammary carcinoma cell line | 12570375 |
| HT-29 | IC50 | = | 380.0 | nM | 6.42 | Inhibitory activity against HT-29 colon cancer cell line | 12570375 |
| A549 | IC50 | = | 500.0 | nM | 6.3 | Growth inhibition of human A549 cells after 72 hrs by MTT assay | 17343370 |
| Unchecked | IC50 | = | 790.0 | nM | 6.1 | Inhibitory activity against MDA-468 mammary carcinoma cell line | 12570375 |
| A549 | IC50 | = | 2350.0 | nM | 5.63 | Inhibitory activity against A549 lung adenocarcinoma cell line | 12570375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570375 | 10.1021/jm020984y | Panel NCI-60 (60 carcinoma cell lines) | 4 |
| 16908135 | 10.1016/j.bmcl.2006.07.072 | Thioredoxin reductase | 4 |
| 12570375 | 10.1021/jm020984y | HCT-116 | 3 |
| 15658878 | 10.1021/jm040859h | Panel NCI-60 (60 carcinoma cell lines) | 2 |
| 17343370 | 10.1021/jm061163m | HCT-116 | 2 |
| 17343370 | 10.1021/jm061163m | NON-PROTEIN TARGET | 2 |
| 12570375 | 10.1021/jm020984y | A549 | 2 |
| 12570375 | 10.1021/jm020984y | MCF7 | 2 |
| 12570375 | 10.1021/jm020984y | HT-29 | 2 |
| 12570375 | 10.1021/jm020984y | ACHN | 2 |
| 12570375 | 10.1021/jm020984y | SW-620 | 2 |
| 12570375 | 10.1021/jm020984y | Unchecked | 1 |
| 12570375 | 10.1021/jm020984y | CCRF-CEM | 1 |
| 12570375 | 10.1021/jm020984y | K562 | 1 |
| 12570375 | 10.1021/jm020984y | MOLT-4 | 1 |
| 12570375 | 10.1021/jm020984y | SR | 1 |
| 12570375 | 10.1021/jm020984y | EKVX | 1 |
| 12570375 | 10.1021/jm020984y | HOP-62 | 1 |
| 22264753 | 10.1016/j.bmc.2011.12.018 | ADMET | 1 |
| 12570375 | 10.1021/jm020984y | NCI-H23 | 1 |
Data from ChEMBL 36 via Core Engine