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Compound Detail

CHEMBL60303

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Cc1ccccc1C1=CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60303
Phase Preclinical
Structure Type MOL
InChI Key BORHNVHYIYTKKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

187.3
MW (Da)
2.71
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.65
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 C13H17N
MW 187.29
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
9207939 10.1021/jm970079r Monoamine oxidase 2
9207939 10.1021/jm970079r Amine oxidase [flavin-containing] A 1
9207939 10.1021/jm970079r Amine oxidase [flavin-containing] B 1
8411009 10.1021/jm00072a012 Monoamine oxidase 1

Data from ChEMBL 36 via Core Engine