Compound Detail

CHEMBL4555200

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CC(C)(C)c1ccc(S(=O)(=O)c2cnc(CN)s2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4555200
Phase	Preclinical
Structure Type	MOL
InChI Key	NBDAHKYCFLXSEX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

310.4

MW (Da)

2.73

ALogP

HBA

HBD

73.0

PSA (Å²)

0.95

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysyl oxidase homolog 2 CHEMBL3714029	IC50	6.3	5.91	500.0	6
Unchecked CHEMBL612545	IC50	6.3	5.91	500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysyl oxidase homolog 2	IC50	=	500.0	nM	6.3	Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b...	-
Lysyl oxidase homolog 2	IC50	=	500.0	nM	6.3	LOXL2 Enzyme Activity Assay (c): LOXL2 batch is obtained from R&D systems/Bio-te...	-
Lysyl oxidase homolog 2	IC50	=	500.0	nM	6.3	LOXL2 Enzyme Activity Assay (20 hours): 10. Incubate for 20 hrs at room temp on ...	-
Unchecked	IC50	=	500.0	nM	6.3	Monoamine Oxidase A (MAO-A) Selectivity Assay: MAO-Glo Assay Kit: Promega, Cat N...	-
Lysyl oxidase homolog 2	IC50	=	3000.0	nM	5.52	Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 mins ...	-
Lysyl oxidase homolog 2	IC50	=	3000.0	nM	5.52	LOXL2 Enzyme Activity Assay (a): LOXL2 batch is obtained from R&D systems/Bio-te...	-
Lysyl oxidase homolog 2	IC50	=	3000.0	nM	5.52	LOXL2 Enzyme Activity Assay (20 minutes): The following reagents were prepared:R...	-
Unchecked	IC50	=	3000.0	nM	5.52	LOXL2 Enzyme Activity Assay (20 min): LOX enzyme was obtained from pig skin by t...	-

Data from ChEMBL 36 via Core Engine