Compound Detail

CHEMBL2333165

WITHAWRIGHTOLIDE

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2333165
Name	WITHAWRIGHTOLIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	RWZUJIPMFKTTKN-LWNWQIFTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

454.6

MW (Da)

4.07

ALogP

HBA

HBD

72.8

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 5.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.82	5.665	1500.0	2
U-251 CHEMBL615022	IC50	5.44	5.44	3600.0	1
MRC5 CHEMBL614181	IC50	5.25	5.25	5600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	1500.0	nM	5.82	Cytotoxicity against human U87 cells after 72 hrs by MTS assay	23252848
NON-PROTEIN TARGET	IC50	=	3100.0	nM	5.51	Cytotoxicity against human MDA1986 cells after 72 hrs by MTS assay	23252848
U-251	IC50	=	3600.0	nM	5.44	Cytotoxicity against human U251 cells after 72 hrs by MTS assay	23252848
MRC5	IC50	=	5600.0	nM	5.25	Cytotoxicity against human MRC5 cells after 72 hrs by MTS assay	23252848

PubMed	DOI	Target Context	# Activities
23252848	10.1021/np300766p	U-251	3
23252848	10.1021/np300766p	MRC5	2
23252848	10.1021/np300766p	NON-PROTEIN TARGET	2

Data from ChEMBL 36 via Core Engine