Compound Detail
CHEMBL566588
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
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](n4cnc(CCN)c4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL566588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXLRIBHYEQBYDG-BULFVYHESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
513.8
MW (Da)
6.13
ALogP
5
HBA
3
HBD
84.3
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 7700.0 | nM | 5.11 | Cytotoxicity against human U937 cells after 3 days by trypan blue exclusion assa... | 19821610 |
| P19 | IC50 | = | 8900.0 | nM | 5.05 | Cytotoxicity against mouse P19 cells after 3 days by trypan blue exclusion assay | 19821610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19821610 | 10.1021/jm901063e | U-937 | 3 |
| 19821610 | 10.1021/jm901063e | P19 | 3 |
| 19821610 | 10.1021/jm901063e | NON-PROTEIN TARGET | 3 |
| 19821610 | 10.1021/jm901063e | MCF7 | 1 |
| 19821610 | 10.1021/jm901063e | SK-MEL-28 | 1 |
| 19821610 | 10.1021/jm901063e | B16-F10 | 1 |
| 19821610 | 10.1021/jm901063e | A549 | 1 |
| 19821610 | 10.1021/jm901063e | SK-N-SH | 1 |
| 19821610 | 10.1021/jm901063e | SH-SY5Y | 1 |
| 19821610 | 10.1021/jm901063e | NB-4 | 1 |
| 19821610 | 10.1021/jm901063e | KG-1 | 1 |
| 19821610 | 10.1021/jm901063e | HCT-8 | 1 |
| 19821610 | 10.1021/jm901063e | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine