BGC-20-1531

Search structure


Synonyms:	AP-1531 Bgc-20-1531 Bgc20-1531 BGC 20-1531 BGC20-1531 PGN 1531
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	TVDHMDXPKGMXRT-UHFFFAOYSA-M
Smile	COc1ccc(-c2ccc(OCc3cc(C(=O)[N-]S(=O)(=O)c4ccccc4C)oc3C)cc2)nc1.[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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H23N2NaO6S
Molecular Weight	514.54
AlogP	4.66
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	107.73
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	35.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor	-	-	-	3	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Migraine Disorders	2	D008881	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL3260771
SureChEMBL	SCHEMBL2355810

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