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Compound Detail

CHEMBL4068773

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N#Cc1ccc(CN)cc1

Basic Information

ChEMBL ID CHEMBL4068773
Phase Preclinical
Structure Type MOL
InChI Key LFIWXXXFJFOECP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

132.2
MW (Da)
1.02
ALogP
2
HBA
1
HBD
49.8
PSA (Ų)
0.62
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 C8H8N2
MW 132.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
IC50 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28435530 10.1021/acsmedchemlett.7b00014 Lysyl oxidase homolog 2 1

Data from ChEMBL 36 via Core Engine