Compound Detail
CHEMBL152243
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C=CC(=O)N1C/C(=C\c2ccc(N3CC3)cc2)C(=O)/C(=C/c2ccc(N3CC3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL152243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGLWVQOJHHLKTA-YHARCJFQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.39
ALogP
4
HBA
0
HBD
43.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.36 | 4.36 | 43290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 43290.0 | nM | 4.36 | Cytotoxicity against murine P388 cells. | 11170648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 11170648 | 10.1021/jm0002580 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine