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

CHEMBL1814051

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
O=C(Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814051
Phase Preclinical
Structure Type MOL
InChI Key JXHXHDUSHCEDGY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.6
MW (Da)
4.60
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Cl3NO2
MW 316.57
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.56

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21692479 10.1021/jm200325s Poly(ADP-ribose) glycohydrolase 1
21692479 10.1021/jm200325s Poly [ADP-ribose] polymerase 1 1
21692479 10.1021/jm200325s NAD-dependent protein deacetylase sirtuin-1 1
21692479 10.1021/jm200325s Unchecked 1

Data from ChEMBL 36 via Core Engine