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Compound Detail

CHEMBL46600

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CC(C)NCc1cn(Cc2ccccc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46600
Phase Preclinical
Structure Type MOL
InChI Key RWIXNVDHAXLOKN-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2
MW 278.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.15

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
10794685 10.1021/jm991164x Amine oxidase [flavin-containing] A 2
10794685 10.1021/jm991164x Amine oxidase [flavin-containing] B 2

Data from ChEMBL 36 via Core Engine