Compound Detail
CHEMBL152674
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C=CC(=O)N1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1
Basic Information
| ChEMBL ID | CHEMBL152674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBZOBWNZGBPYHT-BGPOSVGRSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
467.2
MW (Da)
6.36
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 7.3 | 6.925 | 50.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 6.55 | 6.26 | 280.0 | 2 |
| L1210 CHEMBL386 | IC50 | 6.55 | 6.185 | 280.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against murine P388 cells. | 11170648 |
| P388 | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against mouse P388 cells assessed as cell growth inhi... | 32172081 |
| L1210 | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against mouse L1210 cells assessed as cell growth inh... | 32172081 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against human Molt 4/C8 cells assessed as cell growth... | 32172081 |
| CCRF-CEM | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against human CEM cells assessed as cell growth inhib... | 32172081 |
| Jurkat | IC50 | = | 580.0 | nM | 6.24 | Cytotoxicity against human Jurkat T cells. | 11170648 |
| NON-PROTEIN TARGET | IC50 | = | 1040.0 | nM | 5.98 | Cytotoxicity against human Molt 4/C8 cells. | 11170648 |
| CCRF-CEM | IC50 | = | 1080.0 | nM | 5.97 | Cytotoxicity against CEM T-lymphocytes. | 11170648 |
| L1210 | IC50 | = | 1520.0 | nM | 5.82 | Cytotoxicity against murine L1210 cells. | 11170648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170648 | 10.1021/jm0002580 | Jurkat | 4 |
| 11170648 | 10.1021/jm0002580 | Unchecked | 2 |
| 11170648 | 10.1021/jm0002580 | P388 | 1 |
| 11170648 | 10.1021/jm0002580 | L1210 | 1 |
| 11170648 | 10.1021/jm0002580 | NON-PROTEIN TARGET | 1 |
| 11170648 | 10.1021/jm0002580 | CCRF-CEM | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | P388 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | L1210 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | Unchecked | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine