Compound Detail

CHEMBL217960

Enter ChEMBL ID:

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

CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(F)cc4)CC3)cc2)cc1[N+](=O)[O-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL217960
Phase	Preclinical
Structure Type	MOL
InChI Key	KKBQYISZBOGNCU-PGUFJCEWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

797.0

MW (Da)

7.37

ALogP

HBA

HBD

128.1

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Apoptosis regulator Bcl-2 CHEMBL4860	EC50	7.57	6.875	27.0	2
Bcl-2-like protein 1 CHEMBL4625	EC50	6.89	6.89	130.0	1
FL5.12 CHEMBL4296414	EC50	6.15	6.15	710.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Apoptosis regulator Bcl-2	EC50	=	27.0	nM	7.57	Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing ...	17256834
Bcl-2-like protein 1	EC50	=	130.0	nM	6.89	Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressin...	17256834
Apoptosis regulator Bcl-2	EC50	=	660.0	nM	6.18	Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing ...	17256834
FL5.12	EC50	=	710.0	nM	6.15	Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressin...	17256834

PubMed	DOI	Target Context	# Activities
17256834	10.1021/jm061152t	Bcl-2-like protein 1	3
17256834	10.1021/jm061152t	Apoptosis regulator Bcl-2	3
17256834	10.1021/jm061152t	FL5.12	1

Data from ChEMBL 36 via Core Engine