Compound Detail

CHEMBL4294655

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O=C(Nc1ccnc(Cl)c1)Nc1cc(C(F)(F)F)ns1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4294655
Phase	Preclinical
Structure Type	MOL
InChI Key	LVCYAIAYDMGPLK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

322.7

MW (Da)

3.85

ALogP

HBA

HBD

66.9

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.89

IC50 2 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable global transcription activator SNF2L2 CHEMBL2362979	IC50	8.0	8.0	10.0	1
Transcription activator BRG1 CHEMBL3085620	IC50	8.0	8.0	10.0	1
Unchecked CHEMBL612545	EC50	6.89	6.46	130.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transcription activator BRG1	IC50	=	10.0	nM	8.0	Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (u...	30339381
Probable global transcription activator SNF2L2	IC50	=	10.0	nM	8.0	Inhibition of recombinant His10-tagged ZZ-HCV3C-BRM ATPase-SnAC (636 to 1331 res...	30339381
Unchecked	EC50	=	130.0	nM	6.89	Inhibition of BRM/BRG1 mutant-dependant cell proliferation in human SKMEL5 cells...	30339381
Unchecked	EC50	=	930.0	nM	6.03	Inhibition of BRM/BRG1 mutant in human NCI-H1299 cells assessed as reduction in ...	30339381

PubMed	DOI	Target Context	# Activities
30339381	10.1021/acs.jmedchem.8b01318	Unchecked	2
30339381	10.1021/acs.jmedchem.8b01318	SBC-5	1
30339381	10.1021/acs.jmedchem.8b01318	Transcription activator BRG1	1
30339381	10.1021/acs.jmedchem.8b01318	Probable global transcription activator SNF2L2	1

Data from ChEMBL 36 via Core Engine