Compound Detail
CHEMBL592500
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
c1ccc2c(c1)nc(NCCCCCCCNc1nc3ccccc3c3[nH]c4ccccc4c13)c1c3ccccc3[nH]c21
Basic Information
| ChEMBL ID | CHEMBL592500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZPGAWIZDUGSMT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
9.53
ALogP
4
HBA
4
HBD
81.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.18 | 5.18 | 6560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 1190.0 | nM | 5.92 | Antiproliferative activity against human HeLa cells by MTT assay | 20171108 |
| A549 | IC50 | = | 1190.0 | nM | 5.92 | Antiproliferative activity against human A549 cells by MTT assay | 20171108 |
| NON-PROTEIN TARGET | IC50 | = | 1610.0 | nM | 5.79 | Antiproliferative activity against human SKHep cells by MTT assay | 20171108 |
| PC-3 | IC50 | = | 6560.0 | nM | 5.18 | Antiproliferative activity against human PC3 cells by MTT assay | 20171108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20171108 | 10.1016/j.bmc.2010.01.033 | HeLa | 1 |
| 20171108 | 10.1016/j.bmc.2010.01.033 | A549 | 1 |
| 20171108 | 10.1016/j.bmc.2010.01.033 | NON-PROTEIN TARGET | 1 |
| 20171108 | 10.1016/j.bmc.2010.01.033 | PC-3 | 1 |
| 20171108 | 10.1016/j.bmc.2010.01.033 | Detroit 551 | 1 |
Data from ChEMBL 36 via Core Engine