NBI-31772

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H11NO7
Molecular Weight	341.2717
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=C(O)C(O)=C2)C(=N1)C(=O)C3=CC=C(O)C(O)=C3

InChI

InChIKey=ZCMFEWUYBFMLIN-UHFFFAOYSA-N

InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)

HIDE SMILES / InChI

Molecular Formula	C17H11NO7
Molecular Weight	341.2717
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
Insulin-like growth factor binding protein 1 1 Target ID: CHEMBL4178 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11445558/	Inhibitor 8297	3.36 nM [Ki]
Insulin-like growth factor binding protein 2 1 Target ID: CHEMBL3088 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11445558/	Inhibitor 8297	1.18 nM [Ki]
Insulin-like growth factor binding protein 3 1 Target ID: CHEMBL3997 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11445558/	Inhibitor 8297	5.64 nM [Ki]
Insulin-like growth factor binding protein 4 1 Target ID: CHEMBL2310 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11445558/	Inhibitor 8297	1.54 nM [Ki]
Insulin-like growth factor binding protein 5 1 Target ID: CHEMBL2665 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11445558/	Inhibitor 8297	3.9 nM [Ki]
Insulin-like growth factor binding protein 6 1 Target ID: CHEMBL2139 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11445558/	Inhibitor 8297	16.6 nM [Ki]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:41:03 GMT 2023` Edited by `admin` on `Sat Dec 16 08:41:03 GMT 2023`
Record UNII	7DYH3XNP6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NBI-31772

Code

English

3-ISOQUINOLINECARBOXYLIC ACID, 1-(3,4-DIHYDROXYBENZOYL)-6,7-DIHYDROXY-

Systematic Name

English

4-(3-(DIHYDROXYMETHYLIDENE)-6,7-DIHYDROXY-2H-ISOQUINOLINE-1-CARBONYL)CYCLOHEXA-3,5-DIENE-1,2-DIONE

Systematic Name

English

1-(3,4-DIHYDROXYBENZOYL)-6,7-DIHYDROXY-3-ISOQUINOLINECARBOXYLIC ACID

Systematic Name

English

NBI31772

Code

English

Code System Code Type Description

CAS

374620-70-9

Created by admin on Sat Dec 16 08:41:03 GMT 2023 , Edited by admin on Sat Dec 16 08:41:03 GMT 2023

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PUBCHEM

135543997

Created by admin on Sat Dec 16 08:41:03 GMT 2023 , Edited by admin on Sat Dec 16 08:41:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID80741040

Created by admin on Sat Dec 16 08:41:03 GMT 2023 , Edited by admin on Sat Dec 16 08:41:03 GMT 2023

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FDA UNII

7DYH3XNP6H

Created by admin on Sat Dec 16 08:41:03 GMT 2023 , Edited by admin on Sat Dec 16 08:41:03 GMT 2023

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Related Record Type Details


					7DYH3XNP6H

NBI-31772

ACTIVE MOIETY