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Compound Detail

CHEMBL5433745

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NCCNC1C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433745
Phase Preclinical
Structure Type MOL
InChI Key LSZAYCTUPPKNOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

194.3
MW (Da)
1.36
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H22N2
MW 194.32
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
37235809 10.1021/acs.jmedchem.3c00398 Mycolicibacterium smegmatis 1
37235809 10.1021/acs.jmedchem.3c00398 Mycobacterium tuberculosis 1
37235809 10.1021/acs.jmedchem.3c00398 Cell membrane 1

Data from ChEMBL 36 via Core Engine