NINGETINIB

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

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	PW3Q92Z6A4
Record Status	`Validated (UNII)`
Record Version

Show entries

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

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Code System

Code

Type

Description

FDA UNII

PW3Q92Z6A4

PRIMARY

SMS_ID

300000005131

PRIMARY

CAS

1394820-69-9

PRIMARY

PUBCHEM

60165029

PRIMARY

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Related Record

Type

Details


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MINOR

Qualification:

Vmax

Amount:

0.582 nM/min/mg protein [0.563 to 0.601] (average)


					4AF605U6JN

MRP-2

TRANSPORTER -> NON-SUBSTRATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

90 % (average)


					CE55KZ8SI1

TYROSINE-PROTEIN KINASE MER

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

14 NANOMOLAR (average)


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> SUBSTRATE

Comments:

NINGETINIB M1 FORMATION

Interaction Type:

MAJOR

Qualification:

Km

Amount:

0.761 MICROMOLAR [0.686 to 0.835] (average)

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Type

Details


					8D7PF3P7B6

Ningetinib metabolite M1

METABOLITE -> PARENT

Interaction Type:

MAJOR

Amount:

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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:

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