Compound Detail

CHEMBL564009

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL564009
Phase	Preclinical
Structure Type	MOL
InChI Key	GHYBVLUUZDLXRW-LRWLOIOESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

478.5

MW (Da)

0.45

ALogP

HBA

HBD

142.8

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 7.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transcription factor Jun CHEMBL4977	IC50	7.15	7.15	71.0	1
HeLa CHEMBL399	IC50	6.17	6.17	670.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transcription factor Jun	IC50	=	71.0	nM	7.15	Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition...	19199792
HeLa	IC50	=	670.0	nM	6.17	Inhibition of protein synthesis in human HeLa cells assessed as [35S]methionine ...	19199792

PubMed	DOI	Target Context	# Activities
19199792	10.1021/np800732n	Signal transducer and activator of transcription 3	6
19199792	10.1021/np800732n	NON-PROTEIN TARGET	2
19199792	10.1021/np800732n	Unchecked	2
19199792	10.1021/np800732n	Inhibitor of nuclear factor kappa-B kinase subunit alpha	2
19199792	10.1021/np800732n	HeLa	1
19199792	10.1021/np800732n	Nucleic Acid	1
19199792	10.1021/np800732n	Transcription factor Jun	1

Data from ChEMBL 36 via Core Engine