Compound Detail
CHEMBL570511
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CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL570511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHOIOZKDIMVBCA-OGLMXYFKSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
5.21
ALogP
4
HBA
2
HBD
73.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.12
EC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus C CHEMBL612462 | EC50 | 6.06 | 6.06 | 870.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.12 | 4.12 | 75910.0 | 1 |
| OVCAR CHEMBL614212 | IC50 | 4.12 | 4.12 | 75910.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.06 | 4.06 | 87140.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 4.06 | 4.06 | 87140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus C | EC50 | = | 870.0 | nM | 6.06 | Antiviral activity against Poliovirus infected in african green monkey Vero cell... | 19647908 |
| Human alphaherpesvirus 1 | EC50 | = | 1850.0 | nM | 5.73 | Antiviral activity against HSV1 infected in african green monkey Vero cells by S... | 19647908 |
| OVCAR | IC50 | = | 75910.0 | nM | 4.12 | Antitumor activity against human OVCAR cells by SRB colorimetric assay | 21944971 |
| MCF7 | IC50 | = | 75910.0 | nM | 4.12 | Antitumor activity against human MCF7 cells by SRB colorimetric assay | 21944971 |
| UACC-62 | IC50 | = | 87140.0 | nM | 4.06 | Antitumor activity against human UACC62 cells by SRB colorimetric assay | 21944971 |
| NON-PROTEIN TARGET | IC50 | = | 87140.0 | nM | 4.06 | Antitumor activity against human PCO3 cells by SRB colorimetric assay | 21944971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Enterovirus C | 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