Compound Detail
CHEMBL3740990
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Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1-c1nc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3740990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JILBPWYJEYBHIQ-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 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.2 | 5.2 | 6270.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.19 | 4.9267 | 6390.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 6270.0 | nM | 5.2 | Antiproliferative activity against human HT-29 cells assessed as cell growth inh... | - |
| NON-PROTEIN TARGET | IC50 | = | 6390.0 | nM | 5.19 | Antiproliferative activity against human MGC803 cells assessed as cell growth in... | - |
| NON-PROTEIN TARGET | IC50 | = | 8410.0 | nM | 5.08 | Antiproliferative activity against human MNK45 cells assessed as cell growth inh... | - |
| NON-PROTEIN TARGET | IC50 | = | 30670.0 | nM | 4.51 | 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