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Compound Detail

CHEMBL4088360

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Basic Information

ChEMBL ID CHEMBL4088360
Phase Preclinical
Structure Type MOL
InChI Key IDLHTECVNDEOIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

122.2
MW (Da)
0.58
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N2
MW 122.17
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
IC50 5.09 5.09 8210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysyl oxidase homolog 2 IC50 = 8210.0 nM 5.09 Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... 28435530

Literature References

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

Data from ChEMBL 36 via Core Engine