Compound Detail

CHEMBL512064

POCHONIN A

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C[C@H]1C[C@H]2O[C@@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL512064
Name	POCHONIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	WUSYBKJSCTYKMV-UUEMPHROSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

366.8

MW (Da)

2.92

ALogP

HBA

HBD

96.4

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 7.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Heat shock protein HSP 90-beta CHEMBL4303	IC50	7.05	7.05	90.0	1
Unchecked CHEMBL612545	IC50	7.05	6.315	90.0	2
Human alphaherpesvirus 1 CHEMBL377	IC50	5.7	5.7	2000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Heat shock protein HSP 90-beta	IC50	=	90.0	nM	7.05	Inhibition of Hsp90	19017562
Unchecked	IC50	=	90.0	nM	7.05	Inhibition of HSP90	19447629
Human alphaherpesvirus 1	IC50	=	2000.0	nM	5.7	Antiviral activity against HSV1 F infected in african green monkey Vero cells as...	12828470
Unchecked	IC50	=	2640.0	nM	5.58	Inhibition of WNT5A mRNA expression in human dermal papilla cells after 24 hrs b...	19447629

PubMed	DOI	Target Context	# Activities
19447629	10.1016/j.bmc.2009.04.060	Unchecked	2
12828470	10.1021/np020556v	Human alphaherpesvirus 1	1
12828470	10.1021/np020556v	Eimeria tenella	1
12828470	10.1021/np020556v	Neospora caninum	1
12828470	10.1021/np020556v	Estrogen receptor beta	1
19017562	10.1016/j.bmc.2008.10.087	Heat shock protein HSP 90-beta	1
19447629	10.1016/j.bmc.2009.04.060	ADMET	1

Data from ChEMBL 36 via Core Engine