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Compound Detail

CHEMBL3593729

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CN1CCCCC1CCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3593729
Phase Preclinical
Structure Type MOL
InChI Key UUHGWPMDKYOPEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

196.3
MW (Da)
1.96
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.68
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 C12H24N2
MW 196.34
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
26197353 10.1021/acs.jmedchem.5b00428 PBMC 1
26197353 10.1021/acs.jmedchem.5b00428 Unchecked 1
26197353 10.1021/acs.jmedchem.5b00428 Mycolicibacterium smegmatis 1

Data from ChEMBL 36 via Core Engine