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Compound Detail

CHEMBL318669

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CN1CC=C(c2cccc(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318669
Phase Preclinical
Structure Type MOL
InChI Key FKLWAGSVAKNRAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

207.7
MW (Da)
3.06
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.68
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 C12H14ClN
MW 207.70
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
8411009 10.1021/jm00072a012 Monoamine oxidase 1

Data from ChEMBL 36 via Core Engine