Compound Detail
CHEMBL313191
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
CCN(CCCl)c1ccc(CCCNC(=O)c2ccc(NCCCc3ccc(N(CC)CCCl)cc3)c3cc4ccccc4nc23)cc1
Basic Information
| ChEMBL ID | CHEMBL313191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWZCIFZTKPQDNI-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
684.8
MW (Da)
8.93
ALogP
5
HBA
2
HBD
60.5
PSA (Ų)
0.05
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.54
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 290.0 | nM | 6.54 | In vitro cytotoxicity against murine leukemia P388 cell line. | 1992124 |
| CHO-AA8 | IC50 | = | 1500.0 | nM | 5.82 | Compound was evaluated for in vitro cytotoxicities against Chinese hamster ovary... | 1992124 |
| UV4 | IC50 | = | 5400.0 | nM | 5.27 | Hypersensitivity factor obtained from in vitro cytotoxicities against Chinese ha... | 1992124 |
| P388 | IC50 | = | 25000.0 | nM | 4.6 | Percentage increase in lifespan of drug-related tumor bearing animals when heate... | 1992124 |
| P388 | IC50 | = | 45000.0 | nM | 4.35 | Optimal dose administered as a single dose by intraperitoneal inoculation of 10 ... | 1992124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992124 | 10.1021/jm00105a038 | P388 | 3 |
| 1992124 | 10.1021/jm00105a038 | CHO-AA8 | 1 |
| 1992124 | 10.1021/jm00105a038 | UV4 | 1 |
Data from ChEMBL 36 via Core Engine