Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL570510

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
COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570510
Phase Preclinical
Structure Type MOL
InChI Key OSMOVWQQCIACGV-JVWAILMASA-N
9
Targets
10
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
5.16
ALogP
4
HBA
2
HBD
79.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N4O2
MW 420.47
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.84

Activity Summary

IC50 7 meas. best 5.0
EC50 3 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 1
CHEMBL377
 EC50 6.33 6.33 470.0 1
Enterovirus C
CHEMBL612462
 EC50 6.06 6.06 870.0 1
OVCAR
CHEMBL614212
 IC50 5.0 5.0 10000.0 1
MCF7
CHEMBL387
 IC50 4.96 4.96 11040.0 1
K562
CHEMBL385
 IC50 4.84 4.84 14550.0 1
HT-29
CHEMBL384
 IC50 4.42 4.42 38500.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.23 4.23 59380.0 1
NCI-H460
CHEMBL396
 IC50 4.23 4.23 59380.0 1
UACC-62
CHEMBL614610
 IC50 4.18 4.18 65590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human alphaherpesvirus 1 EC50 = 470.0 nM 6.33 Antiviral activity against HSV1 infected in african green monkey Vero cells by S... 19647908
Enterovirus C EC50 = 870.0 nM 6.06 Antiviral activity against Poliovirus infected in african green monkey Vero cell... 19647908
OVCAR IC50 = 10000.0 nM 5.0 Antitumor activity against human OVCAR cells by SRB colorimetric assay 21944971
MCF7 IC50 = 11040.0 nM 4.96 Antitumor activity against human MCF7 cells by SRB colorimetric assay 21944971
K562 IC50 = 14550.0 nM 4.84 Antitumor activity against human K562 cells by SRB colorimetric assay 21944971
HT-29 IC50 = 38500.0 nM 4.42 Antitumor activity against human HT-29 cells by SRB colorimetric assay 21944971
NON-PROTEIN TARGET IC50 = 59380.0 nM 4.23 Antitumor activity against human PCO3 cells by SRB colorimetric assay 21944971
NCI-H460 IC50 = 59380.0 nM 4.23 Antitumor activity against human NCI-H460 cells by SRB colorimetric assay 21944971
UACC-62 IC50 = 65590.0 nM 4.18 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 2
19647908 10.1016/j.ejmech.2009.07.005 Human alphaherpesvirus 1 2
19647908 10.1016/j.ejmech.2009.07.005 Unchecked 2
19647908 10.1016/j.ejmech.2009.07.005 Vero 1
21944971 10.1016/j.bmc.2011.08.059 UACC-62 1
21944971 10.1016/j.bmc.2011.08.059 HT-29 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.2011.08.059 786-0 1

Data from ChEMBL 36 via Core Engine