Compound Detail
CHEMBL569557
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)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(O)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL569557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNBWOMPSFCMASM-LQKURTRISA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.92
ALogP
5
HBA
3
HBD
93.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.9
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| OVCAR CHEMBL614212 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Enterovirus C CHEMBL612462 | EC50 | 5.57 | 5.57 | 2670.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.16 | 4.16 | 69540.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 4.05 | 4.05 | 88180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| OVCAR | IC50 | = | 1260.0 | nM | 5.9 | Antitumor activity against human OVCAR cells by SRB colorimetric assay | 21944971 |
| Enterovirus C | EC50 | = | 2670.0 | nM | 5.57 | Antiviral activity against Poliovirus infected in african green monkey Vero cell... | 19647908 |
| NCI-H460 | IC50 | = | 69540.0 | nM | 4.16 | Antitumor activity against human NCI-H460 cells by SRB colorimetric assay | 21944971 |
| UACC-62 | IC50 | = | 88180.0 | nM | 4.05 | Antitumor activity against human UACC62 cells by SRB colorimetric assay | 21944971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19647908 | 10.1016/j.ejmech.2009.07.005 | Enterovirus C | 17 |
| 19647908 | 10.1016/j.ejmech.2009.07.005 | Unchecked | 2 |
| 19647908 | 10.1016/j.ejmech.2009.07.005 | Vero | 1 |
| 19647908 | 10.1016/j.ejmech.2009.07.005 | Human alphaherpesvirus 1 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | UACC-62 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | NON-PROTEIN TARGET | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | OVCAR | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | K562 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | NCI-H460 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | MCF7 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | HT-29 | 1 |
| 21944971 | 10.1016/j.bmc.2011.08.059 | 786-0 | 1 |
Data from ChEMBL 36 via Core Engine