Details of the Drug

General Information of Drug (ID: DMS2MQ5)

Drug Name

BGC-20-1531

Synonyms

AH-22921; EP4 antagonist, BTG; EP4 antagonist, Pharmagene; Migraine therapy, BTG; Migraine therapy, Pharmagene; PGN-1531; EP4 receptor antagonists (migraine), Asterand; R-4 (migraine), Pharmagene

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

514.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C26H23N2NaO6S
IUPAC Name: sodium;[4-[[4-(5-methoxypyridin-2-yl)phenoxy]methyl]-5-methylfuran-2-carbonyl]-(2-methylphenyl)sulfonylazanide
Canonical SMILES: CC1=CC=CC=C1S(=O)(=O)[N-]C(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC.[Na+]
InChI: InChI=1S/C26H24N2O6S.Na/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23;/h4-15H,16H2,1-3H3,(H,28,29);/q;+1/p-1
InChIKey: TVDHMDXPKGMXRT-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 25209437
TTD ID: D0HJ5H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin E2 receptor EP4 (PTGER4)	TT79WV3	PE2R4_HUMAN	Antagonist	[2]

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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

Migraine

ICD Disease Classification

8A80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin E2 receptor EP4 (PTGER4)	DTT	PTGER4	5.27E-01	-0.05	-0.1

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. (Ligand id: 3380).
2	BGC20-1531, a novel, potent and selective prostanoid EP4 receptor antagonist: a putative new treatment for migraine headache. Br J Pharmacol. 2009 January; 156(2): 316-327.