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Compound Detail

CHEMBL4175406

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CCOC(=O)c1cc2cc(C3Nc4ccccc4C(=O)N3C)cc(C)c2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175406
Phase Preclinical
Structure Type MOL
InChI Key IPPDXQCRSWMUTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
88.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O5
MW 392.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
29709786 10.1016/j.ejmech.2018.04.037 Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine