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Compound Detail

CHEMBL393855

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Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393855
Phase Preclinical
Structure Type MOL
InChI Key DGGCIZWVIVXHFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
0.76
ALogP
6
HBA
2
HBD
65.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O4
MW 308.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine