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Compound Detail

CHEMBL3360387

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COc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360387
Phase Preclinical
Structure Type MOL
InChI Key WOVYMECRFRPIIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.11
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO4
MW 297.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
25432018 10.1021/jm501372p NON-PROTEIN TARGET 2
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
25432018 10.1021/jm501372p ADMET 1
30902399 10.1016/j.bmc.2019.03.028 A549 1

Data from ChEMBL 36 via Core Engine