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Compound Detail

CHEMBL3402260

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CC(C)(C)C(=O)OCc1c(C2CCCCC2)oc2ccc(NC(=O)c3ccccc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3402260
Phase Preclinical
Structure Type MOL
InChI Key AQVNQKACKWHQAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
6.18
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO5
MW 461.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
25865130 10.1016/j.bmc.2015.03.045 Interleukin-5 2

Data from ChEMBL 36 via Core Engine