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Compound Detail

CHEMBL1172423

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CCCC(CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172423
Phase Preclinical
Structure Type MOL
InChI Key DQVUPVCVAHATEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.00
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31NO4
MW 373.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.12

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