Compound Detail

CHEMBL481581

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CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL481581
Phase	Preclinical
Structure Type	MOL
InChI Key	NCLFJOPXKSMXQY-DEOSSOPVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

536.1

MW (Da)

5.40

ALogP

HBA

HBD

84.5

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Apoptosis regulator Bcl-2 CHEMBL4860	IC50	7.7	7.25	20.0	2
Bcl2-associated agonist of cell death CHEMBL3817	IC50	6.6	5.95	250.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Apoptosis regulator Bcl-2	IC50	=	20.0	nM	7.7	Inhibition of GST fused Bcl-2 binding to biotinylated 16 mer Bak-BH3 peptide by ...	19027294
Apoptosis regulator Bcl-2	IC50	=	160.0	nM	6.8	Inhibition of GST fused Bcl-2 binding to biotinylated 26 mer Bak-BH3 peptide by ...	19027294
Bcl2-associated agonist of cell death	IC50	=	250.0	nM	6.6	Inhibition of GST fused Bcl-xL binding to biotinylated 16 mer Bak-BH3 peptide by...	19027294
Bcl2-associated agonist of cell death	IC50	=	5050.0	nM	5.3	Inhibition of GST fused Bcl-xL binding to biotinylated 26 mer Bak-BH3 peptide by...	19027294

PubMed	DOI	Target Context	# Activities
19027294	10.1016/j.bmcl.2008.10.113	Apoptosis regulator Bcl-2	2
19027294	10.1016/j.bmcl.2008.10.113	Bcl2-associated agonist of cell death	2

Data from ChEMBL 36 via Core Engine