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Compound Detail

CHEMBL1172767

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O=c1c(CNC(CCO)c2ccccc2)coc2cccc(OCC3CCCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172767
Phase Preclinical
Structure Type MOL
InChI Key DMZXOAXJDLQROU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
4.97
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.51
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 C26H31NO4
MW 421.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.11

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