Compound Detail

CHEMBL376410

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL376410
Phase	Preclinical
Structure Type	MOL
InChI Key	VZLURBNPWODETA-PGUFJCEWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

847.0

MW (Da)

8.25

ALogP

HBA

HBD

128.1

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Apoptosis regulator Bcl-2 CHEMBL4860	EC50	7.89	7.33	13.0	2
Bcl-2-like protein 1 CHEMBL4625	EC50	7.4	7.4	40.0	1
FL5.12 CHEMBL4296414	EC50	6.92	6.92	120.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Apoptosis regulator Bcl-2	EC50	=	13.0	nM	7.89	Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing ...	17256834
Bcl-2-like protein 1	EC50	=	40.0	nM	7.4	Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressin...	17256834
FL5.12	EC50	=	120.0	nM	6.92	Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressin...	17256834
Apoptosis regulator Bcl-2	EC50	=	170.0	nM	6.77	Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing ...	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