DANUSERTIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H30N6O3
Molecular Weight	474.5548
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DANUSERTIB

Structure Search

SMILES

CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)C3=CC=C(C=C3)N4CCN(C)CC4)=NN2)C5=CC=CC=C5

InChI

InChIKey=XKFTZKGMDDZMJI-HSZRJFAPSA-N

InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H30N6O3
Molecular Weight	474.5548
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:51:49 UTC 2023` Edited by `admin` on `Sat Dec 16 17:51:49 UTC 2023`
Record UNII	M3X659D0FY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DANUSERTIB

Official Name

English

N-(5-((2R)-2-METHOXY-2-PHENYLACETYL)-1,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRAZOL-3-YL)-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE

Systematic Name

English

PHA-739358

Code

English

Danusertib [WHO-DD]

Common Name

English

danusertib [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62556

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID301002864

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

FDA UNII

M3X659D0FY

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

INN

8993

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

EVMPD

SUB96034

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

DRUG BANK

DB11778

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

SMS_ID

100000141656

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

PUBCHEM

11442891

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

ChEMBL

CHEMBL402548

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

CAS

827318-97-8

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

MESH

C523797

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

NCI_THESAURUS

C61587

Created by admin on Sat Dec 16 17:51:50 UTC 2023 , Edited by admin on Sat Dec 16 17:51:50 UTC 2023

PRIMARY

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