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Compound Detail

CHEMBL47667

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c1ccc(CNCc2cn(Cc3ccccc3)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL47667
Phase Preclinical
Structure Type MOL
InChI Key HKRRTKQXCGUSQX-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.98
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2
MW 326.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.12

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