Compound Detail

CHEMBL229169

ANTROCAMPHIN A

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C=C(C)C#Cc1c(OC)cc(OC)c(OC)c1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL229169
Name	ANTROCAMPHIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	CPPLWBNAWKMJON-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

246.3

MW (Da)

2.95

ALogP

HBA

HBD

27.7

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 5.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nitric oxide synthase, inducible CHEMBL3464	IC50	5.14	5.14	7200.0	1
Neutrophil CHEMBL613710	IC50	5.03	5.03	9330.0	1
Unchecked CHEMBL612545	IC50	4.82	4.56	15100.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nitric oxide synthase, inducible	IC50	=	7200.0	nM	5.14	Inhibition of iNOS in mouse BV2 microglial cells assessed as NO production	21115251
Neutrophil	IC50	=	9330.0	nM	5.03	Inhibition of fMLP-induced superoxide production in human neutrophils	17559265
Unchecked	IC50	=	15100.0	nM	4.82	Inhibition of NOX in fMLP-induced PMN cells assessed as NO production	21115251
Unchecked	IC50	=	50100.0	nM	4.3	Inhibition of mouse NOX activity in NADPH-induced mouse BV2 microglial cells ass...	21115251

PubMed	DOI	Target Context	# Activities
21115251	10.1016/j.bmc.2010.10.032	Unchecked	2
17559265	10.1021/np070045e	Neutrophil	1
21115251	10.1016/j.bmc.2010.10.032	MCF7	1
21115251	10.1016/j.bmc.2010.10.032	Daoy	1
21115251	10.1016/j.bmc.2010.10.032	HeLa	1
21115251	10.1016/j.bmc.2010.10.032	Nitric oxide synthase, inducible	1
21115251	10.1016/j.bmc.2010.10.032	HEp-2	1

Data from ChEMBL 36 via Core Engine