Compound Detail
CHEMBL3741050
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
Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1-c1nc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3741050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTCFZKPMCFRUBH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
561.5
MW (Da)
7.55
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.46 | 4.9933 | 3450.0 | 3 |
| HT-29 CHEMBL384 | IC50 | 4.94 | 4.94 | 11550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3450.0 | nM | 5.46 | Antiproliferative activity against human MGC803 cells assessed as cell growth in... | - |
| NON-PROTEIN TARGET | IC50 | = | 5300.0 | nM | 5.28 | Antiproliferative activity against human MNK45 cells assessed as cell growth inh... | - |
| HT-29 | IC50 | = | 11550.0 | nM | 4.94 | Antiproliferative activity against human HT-29 cells assessed as cell growth inh... | - |
| NON-PROTEIN TARGET | IC50 | = | 57170.0 | nM | 4.24 | Antiproliferative activity against human SW620 cells assessed as cell growth inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00092K | NON-PROTEIN TARGET | 3 |
| - | 10.1039/C5MD00092K | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine