Compound Detail

CHEMBL479328

ASPOCHALASIN D

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL479328
Name	ASPOCHALASIN D
Phase	Preclinical
Structure Type	MOL
InChI Key	GCIKKGSNXSCKCP-QYNSZGEFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

401.6

MW (Da)

2.93

ALogP

HBA

HBD

86.6

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 5.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NCI-H460 CHEMBL396	IC50	5.47	5.47	3400.0	1
SF-268 CHEMBL613977	IC50	5.3	5.3	5000.0	1
MCF7 CHEMBL387	IC50	5.28	5.28	5300.0	1
HeLa CHEMBL399	IC50	5.24	5.24	5720.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NCI-H460	IC50	=	3400.0	nM	5.47	Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay	15043404
SF-268	IC50	=	5000.0	nM	5.3	Cytotoxicity against human SF268 cells after 48 hrs by MTT assay	15043404
MCF7	IC50	=	5300.0	nM	5.28	Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay	15043404
HeLa	IC50	=	5720.0	nM	5.24	Cytotoxicity against human HeLa cells by MTT assay	24422592

PubMed	DOI	Target Context	# Activities
15043404	10.1021/np030353m	NCI-H460	1
15043404	10.1021/np030353m	MCF7	1
15043404	10.1021/np030353m	SF-268	1
24422592	10.1021/np4007487	HeLa	1

Data from ChEMBL 36 via Core Engine