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]
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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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) 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).