Details of the Drug

General Information of Drug (ID: DMGCOQF)

Drug Name

AM-156

Synonyms

AM-206; AM-432; CRTH2 receptor antagonists (oral, allergic rhinitis); CRTH2 receptor antagonists (oral, allergic rhinitis), Amira Pharmaceuticals; CRTH2 antagonists (COPD/asthma/allergic rhinitis), Amira; DP2 antagonists (COPD/asthma/allergic rhinitis), Amira; Prostaglandin D2 (PGD2) antagonists (COPD/asthma/allergic rhinitis), Amira

Indication

Disease Entry	ICD 11	Status	REF
Allergic rhinitis	CA08.0	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

457.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C23H23F3NNaO4
IUPAC Name: sodium;2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
Canonical SMILES: CCN(CC1=C(C=CC(=C1)C(F)(F)F)C2=C(C=CC(=C2)CC(=O)[O-])OC)C(=O)C3CC3.[Na+]
InChI: InChI=1S/C23H24F3NO4.Na/c1-3-27(22(30)15-5-6-15)13-16-12-17(23(24,25)26)7-8-18(16)19-10-14(11-21(28)29)4-9-20(19)31-2;/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,28,29);/q;+1/p-1
InChIKey: WFUYBZRTYBYLFG-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 46702966
CAS Number: 1224977-85-8
TTD ID: D0HK3U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin D2 receptor 2 (PTGDR2)	TTQDMX5	PD2R2_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Allergic rhinitis

ICD Disease Classification

CA08.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin D2 receptor 2 (PTGDR2)	DTT	PTGDR2	6.11E-02	-0.15	-0.25

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 339).