Compound Detail
CHEMBL584953
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Basic Information
| ChEMBL ID | CHEMBL584953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKJKMVYTFDUUIX-WGOQTCKBSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
5.15
ALogP
3
HBA
2
HBD
70.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.07
EC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus C CHEMBL612462 | EC50 | 5.71 | 5.71 | 1950.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.07 | 5.07 | 8490.0 | 1 |
| OVCAR CHEMBL614212 | IC50 | 4.98 | 4.98 | 10560.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.93 | 4.93 | 11630.0 | 1 |
| UACC-62 CHEMBL614610 | IC50 | 4.59 | 4.59 | 25870.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.1 | 4.1 | 79540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus C | EC50 | = | 1950.0 | nM | 5.71 | Antiviral activity against Poliovirus infected in african green monkey Vero cell... | 19647908 |
| NCI-H460 | IC50 | = | 8490.0 | nM | 5.07 | Antitumor activity against human NCI-H460 cells by SRB colorimetric assay | 21944971 |
| OVCAR | IC50 | = | 10560.0 | nM | 4.98 | Antitumor activity against human OVCAR cells by SRB colorimetric assay | 21944971 |
| NON-PROTEIN TARGET | IC50 | = | 11630.0 | nM | 4.93 | Antitumor activity against human PCO3 cells by SRB colorimetric assay | 21944971 |
| UACC-62 | IC50 | = | 25870.0 | nM | 4.59 | Antitumor activity against human UACC62 cells by SRB colorimetric assay | 21944971 |
| K562 | IC50 | = | 79540.0 | nM | 4.1 | Antitumor activity against human K562 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