DG-041

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H15Cl4FN2O3S2
Molecular Weight	592.317
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CN(CC2=CC=C(Cl)C=C2Cl)C3=C1C=C(F)C=C3\C=C\C(=O)NS(=O)(=O)C4=CC(Cl)=C(Cl)S4

InChI

InChIKey=BFBTVZNKWXWKNZ-HWKANZROSA-N

InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+

HIDE SMILES / InChI

Molecular Formula	C23H15Cl4FN2O3S2
Molecular Weight	592.317
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Prostaglandin E2 receptor EP3 subtype 4 Target ID: P43115\|\|\|Q16546 Gene ID: 5733.0 Gene Symbol: PTGER3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19957930	Antagonist 2778		4.6 nM [IC50]

PubMed

Title	Date	PubMed
Modulation of bladder function by prostaglandin EP3 receptors in the central nervous system.	2008 Oct	18632791
Dual modulation of urinary bladder activity and urine flow by prostanoid EP3 receptors in the conscious rat.	2009 Sep	19486006

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:35 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:35 UTC 2023`
Record UNII	1844425CLP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DG-041

Common Name

English

2-PROPENAMIDE, 3-(1-((2,4-DICHLOROPHENYL)METHYL)-5-FLUORO-3-METHYL-1H-INDOL-7-YL)-N-((4,5-DICHLORO-2-THIENYL)SULFONYL)-, (2E)-

Systematic Name

English

Code System Code Type Description

CAS

1030374-84-5