EMA401

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Ligands
EMA401

Ligand id: 8374

Name: EMA401

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	9
Topological polar surface area	76.07
Molecular weight	507.2
XLogP	9.83
No. Lipinski's rules broken	1

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
(3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

IUPAC Name

(3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Synonyms
[S]-enantiomer of EMA400 [8] \| [S]-enantiomer of PD-126,055

Comments
EMA401 is reported as a selective antagonist of the angiotensin type II receptor (AT₂R) [5,8]. The compound is being assessed as a novel therapy for neuropathic pain [3]. Note that PubChem CID 23683656 refers to the potassium salt and that the sodium salt was used in [8].

Comments

EMA401 is reported as a selective antagonist of the angiotensin type II receptor (AT₂R) [5,8]. The compound is being assessed as a novel therapy for neuropathic pain [3].
Note that PubChem CID 23683656 refers to the potassium salt and that the sodium salt was used in [8].

Database Links
BindingDB Ligand	50282401
ChEMBL Ligand	CHEMBL34124
GtoPdb PubChem SID	252166586
PubChem CID	9937291
Search Google for chemical match using the InChIKey	GHBCIXGRCZIPNQ-MHZLTWQESA-N
Search Google for chemicals with the same backbone	GHBCIXGRCZIPNQ
Search UniChem for chemical match using the InChIKey	GHBCIXGRCZIPNQ-MHZLTWQESA-N
Search UniChem for chemicals with the same backbone	GHBCIXGRCZIPNQ