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Compound Detail

CHEMBL1173224

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COc1ccc(CNCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1173224
Phase Preclinical
Structure Type MOL
InChI Key LTWWRTSVLYUXQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
5.05
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO4
MW 407.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
20627591 10.1016/j.bmc.2010.05.028 Interleukin-5 2

Data from ChEMBL 36 via Core Engine