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

Molecular Formula	C31H29FN4O5
Molecular Weight	556.5842
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
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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:37:16 UTC 2023` Edited by `admin` on `Sat Dec 16 14:37:16 UTC 2023`
Record UNII	PW3Q92Z6A4
Record Status	`Validated (UNII)`
Record Version

Download

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

PRIMARY

SMS_ID

300000005131

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

PRIMARY

CAS

1394820-69-9

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

PRIMARY

PUBCHEM

60165029

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

PRIMARY

Related Record Type Details


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MINOR

Qualification:

Vmax

Amount:


					4AF605U6JN

MRP-2

TRANSPORTER -> NON-SUBSTRATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					CE55KZ8SI1

TYROSINE-PROTEIN KINASE MER

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MAJOR

Qualification:

Km

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MAJOR

Qualification:

Vmax

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MINOR

Qualification:

Vmax

Amount:


					798536Z7S0

VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					4796L35A70

RECEPTOR-TYPE TYROSINE-PROTEIN KINASE FLT3

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					R7I5725FES

NINGETINIB TOSYLATE

SALT/SOLVATE -> PARENT

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MINOR

Qualification:

Km

Amount:


					QA085PMU8Q

HEPATOCYTE GROWTH FACTOR RECEPTOR

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					0OZF0UI2AQ

CYTOCHROME P450 1B1

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MINOR

Qualification:

Vmax

Amount:


					0OZF0UI2AQ

CYTOCHROME P450 1B1

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MINOR

Qualification:

Km

Amount:

Related Record Type Details


					8D7PF3P7B6

Ningetinib metabolite M1

METABOLITE -> PARENT

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					PW3Q92Z6A4

NINGETINIB

ACTIVE MOIETY

Comments:

Originator: HEC Pharm; Class: Antineoplastic, Small molecule; Mechanism of Action: Axl receptor tyrosine kinase inhibitor, Fms-like tyrosine kinase 3 inhibitor, Proto oncogene protein c met inhibitor, Proto-oncogene protein c-mer inhibitor, RON protein inhibitor, Signal transduction pathway modulator, Vascular endothelial growth factor receptor-2 antagonist; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Phase I for Glioblastoma; Most Recent Events: 11 Mar 2016 Phase-I clinical trials in Glioblastoma in China (PO), 03 Nov 2015 Ningetinib is still in phase I trials for Glioma in China (HEC Pharm pipeline, October 2015), 07 Apr 2014 Pharmacodynamics data from preclinical trials in Solid tumours presented at the 105th Annual Meeting of the American Association for Cancer Research (AACR-2014)

Amount: