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Compound Detail

CHEMBL1813884

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O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813884
Phase Preclinical
Structure Type MOL
InChI Key KZWFIRTXBMVQSC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.3
MW (Da)
6.90
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15Cl2NO3
MW 424.28
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21692479 10.1021/jm200325s Poly(ADP-ribose) glycohydrolase 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