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Details

Stereochemistry ACHIRAL
Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PONATINIB

SMILES

CN1CCN(CC2=CC=C(NC(=O)C3=CC=C(C)C(=C3)C#CC4=CN=C5C=CC=NN45)C=C2C(F)(F)F)CC1

InChI

InChIKey=PHXJVRSECIGDHY-UHFFFAOYSA-N
InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

HIDE SMILES / InChI
Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:50:23 UTC 2023
Edited
by admin
on Fri Dec 15 18:50:23 UTC 2023
Record UNII
4340891KFS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PONATINIB
DASH   INN   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
PONATINIB [VANDF]
Common Name English
ponatinib [INN]
Common Name English
Ponatinib [WHO-DD]
Common Name English
3-(2-(IMIDAZO(1,2-B)PYRIDAZIN-3-YL)ETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1- YL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)BENZAMIDE
Systematic Name English
PONATINIB [MI]
Common Name English
AP24534
Code English
AP-24534
Code English
BENZAMIDE, 3-(2-IMIDAZO(1,2-B)PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYL-1- PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
PONATINIB [USAN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 466714
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
NCI_THESAURUS C155700
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
LIVERTOX NBK548131
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
FDA ORPHAN DRUG 294809
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
FDA ORPHAN DRUG 294709
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
WHO-ATC L01XE24
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
NDF-RT N0000175605
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
WHO-VATC QL01XE24
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
EMA ASSESSMENT REPORTS ICLUSING (AUTHORIZED: LEUKEMIA, MYELOID)
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
Code System Code Type Description
WIKIPEDIA
PONATINIB
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
PUBCHEM
24826799
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
CHEBI
78543
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
NCI_THESAURUS
C95777
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
IUPHAR
5890
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
FDA UNII
4340891KFS
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
MESH
C545373
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
LACTMED
Ponatinib
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
INN
9362
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID50241426
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
USAN
XX-34
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL1171837
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
MERCK INDEX
m11700
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
EVMPD
SUB91901
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
DRUG BANK
DB08901
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
DAILYMED
4340891KFS
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
CAS
943319-70-8
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
SMS_ID
100000141503
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
HSDB
8184
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
RXCUI
1364347
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
4716
Created by admin on Fri Dec 15 18:50:23 UTC 2023 , Edited by admin on Fri Dec 15 18:50:23 UTC 2023
PRIMARY
Related Record Type Details
BREAKPOINT CLUSTER REGION PROTEIN
TARGET -> INHIBITOR
BCR-ABL KINASE
TARGET -> INHIBITOR
IC50
OCT-3
TRANSPORTER -> NON-SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
TYROSINE-PROTEIN KINASE ABL1
TARGET -> INHIBITOR
OCT-2
TRANSPORTER -> NON-SUBSTRATE
BCR-ABL KINASE T315I MUTANT (IMATINIB RESISTANT)
TARGET -> INHIBITOR
Active against gatekeeper mutation
IC50
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> NON-SUBSTRATE
Structure of PONATINIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
OCT-1
TRANSPORTER -> SUBSTRATE
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> NON-SUBSTRATE
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> INHIBITOR
OCT-1
TRANSPORTER -> NON-SUBSTRATE
Related Record Type Details
Structure of AP-24600
METABOLITE INACTIVE -> PARENT
PLASMA; URINE
Structure of AP-24567
METABOLITE ACTIVE -> PARENT
FECAL; PLASMA
Structure of AP-24592
METABOLITE -> PARENT
Related Record Type Details
Structure of PONATINIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC Elimination
PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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