Compound Detail

CHEMBL5268189

Enter ChEMBL ID:

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

O=C(O)c1ccnc(NCc2cccc(F)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5268189
Phase	Preclinical
Structure Type	MOL
InChI Key	YFUUKCJIHIACCK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

246.2

MW (Da)

2.53

ALogP

HBA

HBD

62.2

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysine-specific demethylase 5A CHEMBL2424504	IC50	7.0	7.0	100.0	1
Lysine-specific demethylase 5B CHEMBL3774295	IC50	7.0	7.0	100.0	1
Lysine-specific demethylase 4C CHEMBL6175	IC50	7.0	7.0	100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysine-specific demethylase 5B	IC50	=	100.0	nM	7.0	Inhibition of N-terminal his6-tagged human KDM5B (1 to 769 residues) expressed i...	34555614
Lysine-specific demethylase 5A	IC50	=	100.0	nM	7.0	Inhibition of N-terminal his6-tagged human KDM5A (1 to 797 residues) expressed i...	34555614
Lysine-specific demethylase 4C	IC50	=	100.0	nM	7.0	Inhibition of KDM4C (unknown origin) incubated for 20 mins by Alphascreen assay	34555614

PubMed	DOI	Target Context	# Activities
34555614	10.1016/j.ejmech.2021.113855	Lysine-specific demethylase 5B	1
34555614	10.1016/j.ejmech.2021.113855	Lysine-specific demethylase 5A	1
34555614	10.1016/j.ejmech.2021.113855	A549	1
34555614	10.1016/j.ejmech.2021.113855	Lysine-specific demethylase 4C	1

Data from ChEMBL 36 via Core Engine