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Compound Detail

CHEMBL1829663

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CCCN1CCC2(CC1)OC(OC)Cc1c2cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1829663
Phase Preclinical
Structure Type MOL
InChI Key WQUDSPYPORBDRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
1.67
ALogP
5
HBA
0
HBD
39.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3O2
MW 279.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
21859078 10.1021/jm200585k Unchecked 2
21859078 10.1021/jm200585k Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine