U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32FN9O2
Molecular Weight 533.6015
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRALSETINIB

SMILES

Cc1cc(=Nc2cc(C)[nH]n2)[nH]c([C@@]3([H])CC[C@](CC3)(C(=N[C@@]([H])(C)c4ccc(nc4)-n5cc(cn5)F)O)OC)n1

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 533.6015
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:57:54 UTC 2021
Edited
by admin
on Sat Jun 26 12:57:54 UTC 2021
Record UNII
1WPE73O1WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRALSETINIB
INN   USAN  
Official Name English
GAVRETO
Brand Name English
PRALSETINIB [WHO-DD]
Common 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
X581238
Code 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 634318
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
FDA ORPHAN DRUG 728519
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
Code System Code Type Description
CAS
2097132-94-8
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
PUBCHEM
129073603
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
NCI_THESAURUS
C132295
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
RXCUI
2394936
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
EVMPD
SUB196574
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
INN
11004
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
LACTMED
Pralsetinib
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
FDA UNII
1WPE73O1WV
Created by admin on Sat Jun 26 12:57:55 UTC 2021 , Edited by admin on Sat Jun 26 12:57:55 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INDUCER
METABOLIC ENZYME -> SUBSTRATE
MINOR
TRANSPORTER -> INHIBITOR
TRANSPORTER -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
EXCRETED UNCHANGED
FECAL
TRANSPORTER -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
TRANSPORTER -> INHIBITOR
TRANSPORTER -> INHIBITOR
METABOLIC ENZYME -> SUBSTRATE
MAJOR
METABOLIC ENZYME -> INDUCER
TRANSPORTER -> INHIBITOR
METABOLIC ENZYME -> SUBSTRATE
MINOR
TRANSPORTER -> SUBSTRATE
TRANSPORTER -> SUBSTRATE
EXCRETED UNCHANGED
URINE
TRANSPORTER -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INDUCER
METABOLIC ENZYME -> INDUCER
TRANSPORTER -> INHIBITOR
BINDER->LIGAND
Protein binding of pralsetinib is independent of concentration.
BINDING
Related Record Type Details
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