Compound Detail

CHEMBL221142

DYSIHERBAINE

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CN[C@H]1[C@H]2O[C@@](C[C@H](N)C(=O)O)(C(=O)O)C[C@H]2OC[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL221142
Name	DYSIHERBAINE
Phase	Preclinical
Structure Type	MOL
InChI Key	YUSZFKPLFIQTGF-FDNSHYBFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

304.3

MW (Da)

-2.25

ALogP

HBA

HBD

151.3

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Ki 4 meas. best 9.13

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, kainate 1 CHEMBL1918	Ki	9.13	9.13	0.7	1
Glutamate receptor ionotropic, kainate 2 CHEMBL3683	Ki	8.92	8.92	1.2	1
Unchecked CHEMBL612545	Ki	7.58	7.2	26.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, kainate 1	Ki	=	0.74	nM	9.13	Displacement of [3H]kianic acid from recombinant GluK1 kainate receptor (unknown...	27720549
Glutamate receptor ionotropic, kainate 2	Ki	=	1.2	nM	8.92	Displacement of [3H]kianic acid from recombinant GluK2 kainate receptor (unknown...	27720549
Unchecked	Ki	=	26.0	nM	7.58	Displacement of [3H]kainic acid from Kainate receptor in rat synaptic membrane	16949819
Unchecked	Ki	=	153.0	nM	6.82	Displacement of [3H]AMPA from AMPA receptor in rat synaptic membrane	16949819

PubMed	DOI	Target Context	# Activities
16949819	10.1016/j.bmcl.2006.08.082	Unchecked	2
16949819	10.1016/j.bmcl.2006.08.082	Mus musculus	1
27720549	10.1016/j.bmcl.2016.09.074	Glutamate receptor ionotropic, kainate 2	1
27720549	10.1016/j.bmcl.2016.09.074	Glutamate receptor ionotropic, kainate 1	1

Data from ChEMBL 36 via Core Engine