NINGETINIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H29FN4O5
Molecular Weight	556.5842
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N(C(=O)C(C(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CC(OCC(C)(C)O)=C4)C=C2)=C1C)C5=CC=CC=C5

InChI

InChIKey=VQYYQSZNRVQLIS-UHFFFAOYSA-N

InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase receptor UFO 14 Target ID: CHEMBL4895 Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20170510&CC=CN&NR=106632253A&KC=A	Inhibitor 8297

Name

Type

Language

NINGETINIB

Common Name

English

N-(3-FLUORO-4-((7-(2-HYDROXY-2-METHYLPROPOXY)-4-QUINOLINYL)OXY)PHENYL)-2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE

Systematic Name

English

CT053PTSA FREE BASE

Code

English

1H-PYRAZ1H-Pyrazole-4-carboxamide, N-[3-fluoro-4-[[7-(2-hydroxy-2-methylpropoxy)-4-quinolinyl]oxy]phenyl]-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-

Systematic Name

English

CT-053-PTSA FREE BASE

Code

English

Ningetinib [WHO-DD]

Common Name

English

CT-053 FREE BASE

Code

English

Code System Code Type Description

FDA UNII

PW3Q92Z6A4

Created by admin on Sat Dec 16 14:37:18 GMT 2023 , Edited by admin on Sat Dec 16 14:37:18 GMT 2023

PRIMARY

SMS_ID

300000005131

Created by admin on Sat Dec 16 14:37:18 GMT 2023 , Edited by admin on Sat Dec 16 14:37:18 GMT 2023

PRIMARY

CAS

1394820-69-9

Created by admin on Sat Dec 16 14:37:18 GMT 2023 , Edited by admin on Sat Dec 16 14:37:18 GMT 2023

PRIMARY

PUBCHEM

60165029

Created by admin on Sat Dec 16 14:37:18 GMT 2023 , Edited by admin on Sat Dec 16 14:37:18 GMT 2023

PRIMARY

ACTIVE MOIETY


					PW3Q92Z6A4

NINGETINIB

METABOLITE (PARENT)


					8D7PF3P7B6

Ningetinib metabolite M1

SALT/SOLVATE (PARENT)


					R7I5725FES

NINGETINIB TOSYLATE