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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32FN9O2
Molecular Weight 533.6005
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRALSETINIB

SMILES

CO[C@]1(CC[C@@H](CC1)C2=NC(NC3=NNC(C)=C3)=CC(C)=N2)C(=O)N[C@@H](C)C4=CC=C(N=C4)N5C=C(F)C=N5

InChI

InChIKey=GBLBJPZSROAGMF-BATDWUPUSA-N
InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27-/m0/s1

HIDE SMILES / InChI
Molecular Formula C27H32FN9O2
Molecular Weight 533.6005
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

2020
742
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:22:57 GMT 2023
Edited
by admin
on Sat Dec 16 13:22:57 GMT 2023
Record UNII
1WPE73O1WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRALSETINIB
INN   USAN  
Official Name English
GAVRETO
Brand Name English
(CIS)-N-((S)-1-(6-(4-FLUORO-1H-PYRAZOL-1-YL)PYRIDIN-3-YL)ETHYL)-1-METHOXY-4-(4-METHYL-6-(5-METHYL-1H-PYRAZOL-3-YLAMINO)PYRIMIDIN-2-YL)CYCLOHEXANECARBOXAMIDE
Systematic Name English
CYCLOHEXANECARBOXAMIDE, N-((1S)-1-(6-(4-FLUORO-1H-PYRAZOL-1-YL)-3-PYRIDINYL)ETHYL)-1-METHOXY-4-(4-METHYL-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-2-PYRIMIDINYL)-, CIS-
Systematic Name English
BLU-123244
Code English
Pralsetinib [WHO-DD]
Common Name English
X581238
Code English
:PRALSETINIB [ORANGE BOOK]
Common Name English
BLU123244
Code English
pralsetinib [INN]
Common Name English
X-581238
Code English
PRALSETINIB [USAN]
Common Name English
BLU-667
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 840321
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
FDA ORPHAN DRUG 634318
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
FDA ORPHAN DRUG 728519
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
Code System Code Type Description
CAS
2097132-94-8
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
PUBCHEM
129073603
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
NCI_THESAURUS
C132295
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
USAN
HI-27
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
RXCUI
2394936
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
EVMPD
SUB196574
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
INN
11004
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
SMS_ID
100000182481
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID901336540
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
LACTMED
Pralsetinib
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
FDA UNII
1WPE73O1WV
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
DAILYMED
1WPE73O1WV
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
WIKIPEDIA
Pralsetinib
Created by admin on Sat Dec 16 13:23:00 GMT 2023 , Edited by admin on Sat Dec 16 13:23:00 GMT 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INDUCER
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
MINOR
OATP-8
TRANSPORTER -> INHIBITOR
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 3A5
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
Structure of PRALSETINIB
EXCRETED UNCHANGED
FECAL
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET M918T
INHIBITOR -> TARGET
IC50
OATP1B1
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> INHIBITOR
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
OFF-TARGET->INHIBITOR
IC50
BSEP
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET V804L
INHIBITOR -> TARGET
IC50
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INDUCER
MATE-2
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MINOR
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
Structure of PRALSETINIB
EXCRETED UNCHANGED
URINE
OAT-1
TRANSPORTER -> INHIBITOR
CYTOCHROME P450 2C8
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 3A5
METABOLIC ENZYME -> INDUCER
CYTOCHROME P450 2C8
METABOLIC ENZYME -> INDUCER
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Protein binding of pralsetinib is independent of concentration.
BINDING
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET V804M
INHIBITOR -> TARGET
IC50
Related Record Type Details
Structure of PRALSETINIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
blood-to-plasma ratio PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC MULTIPLE DOSES

Tmax PHARMACOKINETIC SINGLE DOSE

Biological Half-life PHARMACOKINETIC SINGLE DOSE

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