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Compound Detail

CHEMBL3976844

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CN(C(=O)c1ccccc1)c1c(OCc2ccc(Cl)cc2)cccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3976844
Phase Preclinical
Structure Type MOL
InChI Key PZMSVLINEFNYOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.8
MW (Da)
4.89
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClNO4
MW 395.84
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
27908764 10.1016/j.bmcl.2016.11.054 Unchecked 1

Data from ChEMBL 36 via Core Engine