Compound Detail

CHEMBL4067192

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cl.NCc1ccnc(Oc2cccc(C(=O)NCc3ccccc3)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4067192
Phase	Preclinical
Structure Type	MOL
InChI Key	NUXWUXXXTZFTHA-UHFFFAOYSA-N
Parent Compound	CHEMBL4116324
Active Moiety	CHEMBL4116324

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.4

MW (Da)

3.26

ALogP

HBA

HBD

77.2

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysyl oxidase homolog 2 CHEMBL3714029	IC50	7.21	6.6733	62.0	3
Protein-lysine 6-oxidase CHEMBL2249	IC50	5.51	5.51	3100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysyl oxidase homolog 2	IC50	=	62.0	nM	7.21	Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p...	28471663
Lysyl oxidase homolog 2	IC50	=	110.0	nM	6.96	Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p...	28471663
Lysyl oxidase homolog 2	IC50	=	1400.0	nM	5.85	Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as...	28471663
Protein-lysine 6-oxidase	IC50	=	3100.0	nM	5.51	Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 pro...	28471663

PubMed	DOI	Target Context	# Activities
28471663	10.1021/acs.jmedchem.7b00345	Lysyl oxidase homolog 2	3
28471663	10.1021/acs.jmedchem.7b00345	Protein-lysine 6-oxidase	1

Data from ChEMBL 36 via Core Engine