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Compound Detail

CHEMBL4169691

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O=C1/C(=C/c2ccc(O)cc2)Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169691
Phase Preclinical
Structure Type MOL
InChI Key YLLAXLJVEQXGCF-LDADJPATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.70
ALogP
5
HBA
1
HBD
89.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17NO5
MW 387.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
29689475 10.1016/j.ejmech.2018.04.030 Interleukin-5 2

Data from ChEMBL 36 via Core Engine