NU-7441

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H19NO3S
Molecular Weight	413.488
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1C=C(OC2=C(C=CC=C12)C3=C4SC5=CC=CC=C5C4=CC=C3)N6CCOCC6

InChI

InChIKey=JAMULYFATHSZJM-UHFFFAOYSA-N

InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2

HIDE SMILES / InChI

Molecular Formula	C25H19NO3S
Molecular Weight	413.488
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	Condition	Potency
DNA-dependent protein kinase catalytic subunit 4 Target ID: P78527\|\|\|Q9UME3 Gene ID: 5591.0 Gene Symbol: PRKDC Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15546735	Inhibitor 8297		14.0 nM [IC50]

PubMed

Title	Date	PubMed
Identification of a highly potent and selective DNA-dependent protein kinase (DNA-PK) inhibitor (NU7441) by screening of chromenone libraries.	2004 Dec 20	15546735

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:05:38 GMT 2023` Edited by `admin` on `Sat Dec 16 19:05:38 GMT 2023`
Record UNII	XF6ZJD5WGU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NU-7441

Common Name

English

8-(4-DIBENZOTHIENYL)-2-(4-MORPHOLINYL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 8-(4-DIBENZOTHIENYL)-2-(4-MORPHOLINYL)-

Systematic Name

English

KU-57788

Code

English

Code System Code Type Description

PUBCHEM

11327430

Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023

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EPA CompTox

DTXSID60462509

Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023

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CAS

503468-95-9

Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023

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FDA UNII

XF6ZJD5WGU

Created by admin on Sat Dec 16 19:05:38 GMT 2023 , Edited by admin on Sat Dec 16 19:05:38 GMT 2023

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Related Record Type Details


					XF6ZJD5WGU

NU-7441

ACTIVE MOIETY