Compound Detail
CHEMBL283010
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Cc1cccc2nc3cccc(C(=O)NCCCNCCCNCCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12
Basic Information
| ChEMBL ID | CHEMBL283010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCZWRCCNHBYVFY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
628.8
MW (Da)
5.01
ALogP
8
HBA
4
HBD
133.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| P388 CHEMBL389 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.3 | nM | 8.89 | Inhibitory concentration required to reduce cell number to 50% of control cultur... | 11311063 |
| Lewis lung carcinoma cell line | IC50 | = | 31.0 | nM | 7.51 | Inhibitory concentration required to reduce cell number to 50% of control cultur... | 11311063 |
| P388 | IC50 | = | 430.0 | nM | 6.37 | Inhibitory concentration required to reduce cell number to 50% of control cultur... | 11311063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311063 | 10.1021/jm0003283 | Unchecked | 2 |
| 11311063 | 10.1021/jm0003283 | P388 | 1 |
| 11311063 | 10.1021/jm0003283 | Lewis lung carcinoma cell line | 1 |
| 11311063 | 10.1021/jm0003283 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine