Compound Detail

CHEMBL1934459

WITHALONGOLIDE G

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1934459
Name	WITHALONGOLIDE G
Phase	Preclinical
Structure Type	MOL
InChI Key	COBSTJNYJHEYIM-WQWZRYHASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

584.7

MW (Da)

1.35

ALogP

HBA

HBD

180.2

PSA (Å²)

0.20

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
B16-F10 CHEMBL612656	IC50	5.89	5.89	1300.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.7	5.67	2000.0	2
ADMET CHEMBL612558	IC50	5.48	5.48	3300.0	1
SK-MEL-28 CHEMBL614919	IC50	5.32	5.32	4800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
B16-F10	IC50	=	1300.0	nM	5.89	Cytotoxicity against mouse B16F10 cells after 72 hrs by MTS assay	22098611
NON-PROTEIN TARGET	IC50	=	2000.0	nM	5.7	Cytotoxicity against human MDA1986 cells after 72 hrs by MTS assay	22098611
NON-PROTEIN TARGET	IC50	=	2300.0	nM	5.64	Cytotoxicity against human JMAR cells after 72 hrs by MTS assay	22098611
ADMET	IC50	=	3300.0	nM	5.48	Cytotoxicity against human MCR5 cells after 72 hrs by MTS assay	22098611
SK-MEL-28	IC50	=	4800.0	nM	5.32	Cytotoxicity against human SK-MEL-28 cells after 72 hrs by MTS assay	22098611

PubMed	DOI	Target Context	# Activities
22098611	10.1021/np200635r	NON-PROTEIN TARGET	2
22098611	10.1021/np200635r	B16-F10	1
22098611	10.1021/np200635r	SK-MEL-28	1
22098611	10.1021/np200635r	ADMET	1

Data from ChEMBL 36 via Core Engine