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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 of NINGETINIB

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:37:16 GMT 2023
Edited
by admin
on Sat Dec 16 14:37:16 GMT 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 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
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MINOR
Vmax
TRANSPORTER -> NON-SUBSTRATE
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
IC50
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MAJOR
Km
TRANSPORTER -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MAJOR
Vmax
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MINOR
Vmax
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
TRANSPORTER -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MINOR
Km
TARGET -> INHIBITOR
IC50
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MINOR
Vmax
METABOLIC ENZYME -> SUBSTRATE
NINGETINIB M1 FORMATION
MINOR
Km
Related Record Type Details
METABOLITE -> PARENT
MAJOR
Related Record Type Details
ACTIVE MOIETY
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)