Compound Detail

CHEMBL206765

ENHYDRIN

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C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@@H](OC(C)=O)/C(C(=O)OC)=C\CC[C@@]1(C)O[C@H]21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL206765
Name	ENHYDRIN
Phase	Preclinical
Structure Type	MOL
InChI Key	VCBNPTWPJQLHQN-ZRVFLOPNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

464.5

MW (Da)

1.16

ALogP

HBA

HBD

130.3

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 6.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin G/H synthase 2 CHEMBL230	IC50	6.22	6.22	600.0	1
Transcriptional activator Myb CHEMBL2380186	IC50	5.53	5.53	2950.0	2
ADMET CHEMBL612558	IC50	5.13	5.13	7490.0	1
Platelet CHEMBL4296519	IC50	5.06	5.06	8760.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin G/H synthase 2	IC50	=	600.0	nM	6.22	Inhibition of COX2	16038536
Transcriptional activator Myb	IC50	=	2951.21	nM	5.53	Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken ...	23501116
Transcriptional activator Myb	IC50	=	2950.0	nM	5.53	Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken ...	23501116
ADMET	IC50	=	7490.0	nM	5.13	Cytotoxicity against chicken HD11 cells assessed as cell viability after 24 hrs ...	23501116
Platelet	IC50	=	8760.0	nM	5.06	Inhibition of serotonin release in bovine platelets	18271521

PubMed	DOI	Target Context	# Activities
23501116	10.1016/j.ejmech.2013.02.018	Transcriptional activator Myb	2
16570920	10.1021/jm051125n	Transcription factor p65	1
18271521	10.1021/jm701318x	Platelet	1
16038536	10.1021/np049655u	Prostaglandin G/H synthase 2	1
23501116	10.1016/j.ejmech.2013.02.018	ADMET	1

Data from ChEMBL 36 via Core Engine