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Compound Detail

CHEMBL574182

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C1CCC(N2CCNCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574182
Phase Preclinical
Structure Type MOL
InChI Key XPDSXKIDJNKIQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

168.3
MW (Da)
1.22
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H20N2
MW 168.28
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
19842660 10.1021/jm9007505 Sigma non-opioid intracellular receptor 1 1
19842660 10.1021/jm9007505 Unchecked 1
19842660 10.1021/jm9007505 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase 1

Data from ChEMBL 36 via Core Engine