ROCILETINIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H28F3N7O3
Molecular Weight	555.5515
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ROCILETINIB

Structure Search

SMILES

COC1=CC(=CC=C1NC2=NC=C(C(NC3=CC(NC(=O)C=C)=CC=C3)=N2)C(F)(F)F)N4CCN(CC4)C(C)=O

InChI

InChIKey=HUFOZJXAKZVRNJ-UHFFFAOYSA-N

InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)

HIDE SMILES / InChI

Molecular Formula	C27H28F3N7O3
Molecular Weight	555.5515
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:35:50 UTC 2023` Edited by `admin` on `Sat Dec 16 01:35:50 UTC 2023`
Record UNII	72AH61702G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ROCILETINIB

Official Name

English

2-PROPENAMIDE, N-(3-((2-((4-(4-ACETYL-1-PIPERAZINYL)-2-METHOXYPHENYL)AMINO)-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)PHENYL)-

Systematic Name

English

CNX-419

Code

English

rociletinib [INN]

Common Name

English

CO-1686

Code

English

N-(3-{[2-{[4-(4-Acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide

Systematic Name

English

ROCILETINIB [USAN]

Common Name

English

Rociletinib [WHO-DD]

Common Name

English

CS-1631

Code

English

AVL-301

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

FDA ORPHAN DRUG

380212

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

NCI_THESAURUS

C2167

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

WHO-ATC

L01XE37

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

Code System Code Type Description

FDA UNII

72AH61702G

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

PRIMARY

SMS_ID

100000162726

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

PRIMARY

CAS

1374640-70-6

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

PRIMARY

PUBCHEM

57335384

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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USAN

BC-151

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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NCI_THESAURUS

C99905

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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WIKIPEDIA

Rociletinib

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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EPA CompTox

DTXSID801025958

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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EVMPD

SUB176681

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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INN

9986

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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ChEMBL

CHEMBL3545308

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

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DRUG BANK

DB11907

Created by admin on Sat Dec 16 01:35:50 UTC 2023 , Edited by admin on Sat Dec 16 01:35:50 UTC 2023

PRIMARY

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APOPTOSIS REGULATOR BCL-2

TARGET -> INHIBITOR


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ROCILETINIB HYDROBROMIDE

SALT/SOLVATE -> PARENT


					HRV48Z6HOP

EPIDERMAL GROWTH FACTOR RECEPTOR (EXON 19 DELETION/T790M MUTANT)

TARGET -> INHIBITOR

Related Record Type Details


					72AH61702G

ACTIVE MOIETY