Compound Detail

CHEMBL1641972

CAMPHORATIN I

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C[C@H](/C=C/[C@H](C)[C@H](C)CO)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1641972
Name	CAMPHORATIN I
Phase	Preclinical
Structure Type	MOL
InChI Key	HCQKGAYOZHKURE-TVBBQBQJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

412.7

MW (Da)

6.59

ALogP

HBA

HBD

37.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 4.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nitric oxide synthase, inducible CHEMBL3464	IC50	4.9	4.9	12700.0	1
BV-2 CHEMBL614781	IC50	4.9	4.9	12700.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.76	4.76	17500.0	1
Unchecked CHEMBL612545	IC50	4.76	4.76	17500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nitric oxide synthase, inducible	IC50	=	12700.0	nM	4.9	Inhibition of iNOS in mouse BV2 microglial cells assessed as NO production	21115251
BV-2	IC50	=	12700.0	nM	4.9	Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc...	21028898
Unchecked	IC50	=	17500.0	nM	4.76	Inhibition of NOX in fMLP-induced PMN cells assessed as NO production	21115251
NON-PROTEIN TARGET	IC50	=	17500.0	nM	4.76	Antiinflammatory activity in human PMNC cells assessed as inhibition of fMLP-ind...	21028898

PubMed	DOI	Target Context	# Activities
21115251	10.1016/j.bmc.2010.10.032	Unchecked	2
21028898	10.1021/np1002143	NON-PROTEIN TARGET	2
21028898	10.1021/np1002143	BV-2	2
21115251	10.1016/j.bmc.2010.10.032	Nitric oxide synthase, inducible	1
21028898	10.1021/np1002143	KB	1

Data from ChEMBL 36 via Core Engine