Compound Detail

CHEMBL387864

PIPEROLACTAM A

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COc1cc2c3c(cc4ccccc4c3c1O)NC2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL387864
Name	PIPEROLACTAM A
Phase	Preclinical
Structure Type	MOL
InChI Key	KBGNBPGXVKPRQI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

265.3

MW (Da)

3.27

ALogP

HBA

HBD

58.6

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 6.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
T-cell CHEMBL614309	IC50	6.1	6.1	798.0	1
B-cell CHEMBL614701	IC50	5.89	5.89	1300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
T-cell	IC50	=	798.0	nM	6.1	Inhibition of ConA-induced BALB/c mouse T cell proliferation	17081761
B-cell	IC50	=	1300.0	nM	5.89	Inhibition of LPS-induced BALB/c mouse B cell proliferation	17081761

PubMed	DOI	Target Context	# Activities
10978218	10.1021/np000063v	Platelet	8
19394218	10.1016/j.bmcl.2009.04.020	NON-PROTEIN TARGET	3
17081761	10.1016/j.bmc.2006.10.034	T-cell	2
17081761	10.1016/j.bmc.2006.10.034	ADMET	1
17081761	10.1016/j.bmc.2006.10.034	B-cell	1
17081761	10.1016/j.bmc.2006.10.034	Unchecked	1
3437282	10.1021/np50053a011	P388	1
3437282	10.1021/np50053a011	KB	1
19394218	10.1016/j.bmcl.2009.04.020	HCT-15	1
26996372	10.1016/j.bmcl.2016.03.010	Unchecked	1
33822610	10.1021/acs.jnatprod.1c00055	BV-2	1

Data from ChEMBL 36 via Core Engine