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Details

Stereochemistry ACHIRAL
Molecular Formula C24H27F3N8O3
Molecular Weight 532.5182
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONVANSERTIB

SMILES

CN1CCN(CC1)C2=CC=C(OC(F)(F)F)C(NC3=NC4=C(CCC5=C4N(CCO)N=C5C(N)=O)C=N3)=C2

InChI

InChIKey=QHLVBNKYJGBCQJ-UHFFFAOYSA-N
InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C24H27F3N8O3
Molecular Weight 532.5182
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

NMS-P937 is a selective PLK1 inhibitor. It was developed by Nerviano Medical Sciences and tested in phase I clinical trials.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​
PubMed

PubMed

TitleDatePubMed
NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor.
2011 May 15
Patents

Sample Use Guides

In phase I clinical trials NMS-P937 was administered orally.
Route of Administration: Oral
In Vitro Use Guide
Curator's Comment: referenced from https://www.ncbi.nlm.nih.gov/pubmed/22319201
Inhibition of Plk1 kinase activity was assessed using a Dowex resin capture technique. In this assay, 85 μM RCasein (Sigma) was phosphorylated by 3 nM Plk1 (2-345) in the presence of ATP (40 μM) traced with 33P-γ-ATP in kinase buffer (50mMHepes pH=7.9, 10mM beta glycerylphosphate, mMDTT, 3 μMNaVO3, 10 mM MgCl2, 0.2 mg/mL BSA) for min. By addition of an acidic suspension of Dowex resin SIGMA, custom-prepared resin Dowex 1  8200-400 mesh equilibrated in 150 mM sodium formate, pH = 3.0) the unreacted ATP was captured and separated from the supernatant which contained the phosphorylated substrate: this was then transferred into a new plate for radioactivity counting. The assay is run in a robotized format on 384-well plates.
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:57:19 GMT 2023
Edited
by admin
on Fri Dec 15 16:57:19 GMT 2023
Record UNII
67RM91WDHQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ONVANSERTIB
INN   USAN  
Official Name English
POLO-LIKE KINASE 1 INHIBITOR NMS-1286937
Common Name English
1-(2-HYDROXYETHYL)-8-((5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL)AMINO)-4,5-DIHYDRO-1H-PYRAZOLO(4,3-H)QUINAZOLINE-3-CARBOXAMIDE
Systematic Name English
NMS-1286937
Code English
NMS-P937
Code English
1H-PYRAZOLO(4,3-H)QUINAZOLINE-3-CARBOXAMIDE, 4,5-DIHYDRO-1-(2-HYDROXYETHYL)-8-((5-(4-METHYL-1-PIPERAZINYL)-2-(TRIFLUOROMETHOXY)PHENYL)AMINO)-
Systematic Name English
onvansertib [INN]
Common Name English
PCM-075
Code English
ONVANSERTIB [USAN]
Common Name English
Onvansertib [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C61074
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
FDA ORPHAN DRUG 602617
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID701025917
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
SMS_ID
100000184133
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
FDA UNII
67RM91WDHQ
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
CAS
1034616-18-6
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
NCI_THESAURUS
C143162
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
INN
11172
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
DRUG BANK
DB15110
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
USAN
FG-160
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
PUBCHEM
49792852
Created by admin on Fri Dec 15 16:57:20 GMT 2023 , Edited by admin on Fri Dec 15 16:57:20 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY