Compound Detail
CHEMBL257367
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
CN(C)CCCNc1cc2c3c(ccc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=O
Basic Information
| ChEMBL ID | CHEMBL257367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPRTZQLHQJSDPA-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
2.30
ALogP
8
HBA
1
HBD
96.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.27
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| A549 CHEMBL392 | IC50 | 7.88 | 7.88 | 13.3 | 1 |
| WI-38 CHEMBL614391 | IC50 | 7.37 | 7.37 | 42.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 5.4 | nM | 8.27 | Antiproliferative activity against human MCF7 cells by SRB assay | 18243701 |
| A549 | IC50 | = | 13.3 | nM | 7.88 | Antiproliferative activity against human A549 cells by SRB assay | 18243701 |
| WI-38 | IC50 | = | 42.8 | nM | 7.37 | Antiproliferative activity against human WI38 cells by SRB assay | 18243701 |
| Unchecked | EC50 | = | 17000.0 | nM | 4.77 | Inhibition of telomerase by TRAP assay | 18243701 |
| Trypanosoma brucei | IC50 | = | 21500.0 | nM | 4.67 | Antitrypanosomal activity against bloodstream-stage Trypanosoma brucei measured ... | 38924701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18243701 | 10.1016/j.bmcl.2008.01.050 | Unchecked | 2 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | ADMET | 2 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | quadruplex DNA | 2 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | DNA | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | MCF7 | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | A549 | 1 |
| 18243701 | 10.1016/j.bmcl.2008.01.050 | WI-38 | 1 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | MRC5 | 1 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | Trypanosoma brucei | 1 |
| 38924701 | 10.1021/acs.jmedchem.4c00135 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine