H2L-5765834

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H12N2O7
Molecular Weight	404.3292
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC(OC4=CC=C(C=C4)[N+]([O-])=O)=C3

InChI

InChIKey=HFYPTENHTPNXGP-UHFFFAOYSA-N

InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)

HIDE SMILES / InChI

Molecular Formula	C21H12N2O7
Molecular Weight	404.3292
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Lysophosphatidic acid receptor 1 2 Target ID: Q92633 Gene ID: 1902.0 Gene Symbol: LPAR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19366702	Antagonist 2778	94.0 nM [IC50]
Lysophosphatidic acid receptor 3 2 Target ID: Q9UBY5 Gene ID: 23566.0 Gene Symbol: LPAR3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19366702	Antagonist 2778	752.0 nM [IC50]
Lysophosphatidic acid receptor 5 1 Target ID: Q9H1C0 Gene ID: 57121.0 Gene Symbol: LPAR5 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19366702	Antagonist 2778	463.0 nM [IC50]

PubMed

Title	Date	PubMed
Unique ligand selectivity of the GPR92/LPA5 lysophosphatidate receptor indicates role in human platelet activation.	2009 Jun 19	19366702

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:58:43 UTC 2023` Edited by `admin` on `Sat Dec 16 10:58:43 UTC 2023`
Record UNII	64AMW7H2SK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

H2L-5765834

Common Name

English

2,3-DIHYDRO-2-(3-(4-NITROPHENOXY)PHENYL)-1,3-DIOXO-1H-ISOINDOLE-5-CARBOXYLIC ACID

Systematic Name

English

1H-ISOINDOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-(3-(4-NITROPHENOXY)PHENYL)-1,3-DIOXO-

Systematic Name

English

2-(3-(4-NITROPHENOXY)PHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

1365686

Created by admin on Sat Dec 16 10:58:43 UTC 2023 , Edited by admin on Sat Dec 16 10:58:43 UTC 2023

PRIMARY

CAS

420841-84-5

Created by admin on Sat Dec 16 10:58:43 UTC 2023 , Edited by admin on Sat Dec 16 10:58:43 UTC 2023

PRIMARY

FDA UNII

64AMW7H2SK

Created by admin on Sat Dec 16 10:58:43 UTC 2023 , Edited by admin on Sat Dec 16 10:58:43 UTC 2023

PRIMARY

Related Record Type Details


					64AMW7H2SK

H2L-5765834

ACTIVE MOIETY

Amount: