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

CHEMBL4287655

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
NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4287655
Phase Preclinical
Structure Type MOL
InChI Key FWLHRSUMHBQBMO-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
2.39
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO3
MW 241.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.39

Activity Summary

IC50 4 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein mono-ADP-ribosyltransferase PARP10
CHEMBL2429708
 IC50 6.21 6.12 616.6 3
Protein mono-ADP-ribosyltransferase PARP3
CHEMBL5083
 IC50 4.07 4.07 86000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein mono-ADP-ribosyltransferase PARP10 IC50 = 616.6 nM 6.21 Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expresse... 30006177
Protein mono-ADP-ribosyltransferase PARP10 IC50 = 710.0 nM 6.15 Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expresse... 30006177
Protein mono-ADP-ribosyltransferase PARP10 IC50 = 1000.0 nM 6.0 Inhibition of ARTD10 (unknown origin)-induced cell death expressed in human HeLa... 30006177
Protein mono-ADP-ribosyltransferase PARP3 IC50 = 86000.0 nM 4.07 Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD3 (1 to 533 resi... 30006177

Literature References

PubMed DOI Target Context # Activities
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP10 6
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP3 1
30006177 10.1016/j.ejmech.2018.06.047 Poly [ADP-ribose] polymerase 2 1
30006177 10.1016/j.ejmech.2018.06.047 Poly [ADP-ribose] polymerase 1 1
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP4 1
30006177 10.1016/j.ejmech.2018.06.047 Poly [ADP-ribose] polymerase tankyrase-1 1
30006177 10.1016/j.ejmech.2018.06.047 Poly [ADP-ribose] polymerase tankyrase-2 1
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP15 1
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP14 1
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP12 1
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP16 1
30006177 10.1016/j.ejmech.2018.06.047 Protein mono-ADP-ribosyltransferase PARP9 1
30006177 10.1016/j.ejmech.2018.06.047 Zinc finger CCCH-type antiviral protein 1 1

Data from ChEMBL 36 via Core Engine