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Compound Detail

CHEMBL4469649

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COc1ccc(NCc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469649
Phase Preclinical
Structure Type MOL
InChI Key VLXYCCNZQXRRPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
5.14
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O2
MW 365.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
31400705 10.1016/j.ejmech.2019.111574 Interleukin-5 receptor subunit alpha 2

Data from ChEMBL 36 via Core Engine