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Compound Detail

CHEMBL4204271

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COc1cc2c(cc1OC)/C(=C1/Nc3ccccc3C1=O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4204271
Phase Preclinical
Structure Type MOL
InChI Key OLJOJDGPXOZZQL-NXVVXOECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.68
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O4
MW 322.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
29122482 10.1016/j.bmcl.2017.10.069 HT-22 1

Data from ChEMBL 36 via Core Engine