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Compound Detail

CHEMBL4782683

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COc1cc(C(=O)N2CCc3ccccc32)cc(C#N)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782683
Phase Preclinical
Structure Type MOL
InChI Key LWWNMURYVSKGPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.48
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O3
MW 294.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
33062187 10.1021/acsmedchemlett.0c00176 Solute carrier family 22 member 12 2
33062187 10.1021/acsmedchemlett.0c00176 ADMET 1

Data from ChEMBL 36 via Core Engine