Compound Detail

CHEMBL160640

LAHERRADURIN

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CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3C(=O)O[C@@H](C)[C@@H]3O)O2)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL160640
Name	LAHERRADURIN
Phase	Preclinical
Structure Type	MOL
InChI Key	FTTBSOBXDJECAA-SLOXALGKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

624.9

MW (Da)

7.94

ALogP

HBA

HBD

105.5

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 9.74

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.74	9.74	0.2	1
Mitochondrial complex I; NADH oxidoreductase CHEMBL614865	IC50	9.74	9.74	0.2	1
Bos taurus CHEMBL613489	IC50	9.54	9.54	0.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitochondrial complex I; NADH oxidoreductase	IC50	=	0.18	nM	9.74	Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine h...	11266168
Unchecked	IC50	=	0.18	nM	9.74	Inhibition of NADH oxidase in beef heart submitochondrial particles by end-windo...	19719247
Bos taurus	IC50	=	0.29	nM	9.54	Inhibition of NADH-ubiquinone oxidoreductase using decylubiquinone (DB) acceptor	11266168

PubMed	DOI	Target Context	# Activities
11266168	10.1016/s0960-894x(01)00036-1	Bos taurus	2
11266168	10.1016/s0960-894x(01)00036-1	Mitochondrial complex I; NADH oxidoreductase	1
11266168	10.1016/s0960-894x(01)00036-1	Unchecked	1
19719247	10.1021/np900085n	Unchecked	1

Data from ChEMBL 36 via Core Engine