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Details

Stereochemistry ACHIRAL
Molecular Formula C29H44N8O3
Molecular Weight 552.7115
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GILTERITINIB

SMILES

CCC1=C(NC2CCOCC2)N=C(NC3=CC=C(N4CCC(CC4)N5CCN(C)CC5)C(OC)=C3)C(=N1)C(N)=O

InChI

InChIKey=GYQYAJJFPNQOOW-UHFFFAOYSA-N
InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)

HIDE SMILES / InChI
Molecular Formula C29H44N8O3
Molecular Weight 552.7115
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:40:43 UTC 2023
Edited
by admin
on Sat Dec 16 04:40:43 UTC 2023
Record UNII
66D92MGC8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GILTERITINIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
GILTERITINIB [USAN]
Common Name English
ASP2215
Code English
GILTERITINIB [MI]
Common Name English
gilteritinib [INN]
Common Name English
2-PYRAZINECARBOXAMIDE, 6-ETHYL-3-((3-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)AMINO)-5-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-
Systematic Name English
ASP-2215
Code English
Gilteritinib [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 587217
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
NCI_THESAURUS C1967
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
EU-Orphan Drug EU/3/17/1961
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
Code System Code Type Description
DAILYMED
66D92MGC8M
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
SMS_ID
100000163077
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
DRUG BANK
DB12141
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
CAS
1254053-43-4
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
MERCK INDEX
m12137
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
USAN
BC-51
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
INN
10048
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
NCI_THESAURUS
C116722
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID701027949
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
CHEBI
145372
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
PUBCHEM
49803313
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
FDA UNII
66D92MGC8M
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
WIKIPEDIA
Gilteritinib
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
DRUG CENTRAL
5306
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
RXCUI
2105806
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301622
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
LACTMED
Gilteritinib
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
EVMPD
SUB177203
Created by admin on Sat Dec 16 04:40:43 UTC 2023 , Edited by admin on Sat Dec 16 04:40:43 UTC 2023
PRIMARY
Related Record Type Details
Structure of GILTERITINIB FUMARATE
SALT/SOLVATE -> PARENT
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
~90% Gilteritinib bound to plasma proteins, mainly albumin
BINDING
Structure of GILTERITINIB
EXCRETED UNCHANGED
URINE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
Strong CYP3A inhibitor: co-administration of itraconazole, a strong CYP3A and P-gp inhibitor, increased gilteritinib systemic exposure by approximately 2.2- fold. Moderate CYP3A inhibitor: coadministration of fluconazole, a moderate CYP3A inhibitor, increased gilteritinib systemic exposure by approximately 1.4-fold.
IC50
MATE-2
TRANSPORTER -> INHIBITOR
WEAK
MAST/STEM CELL GROWTH FACTOR RECEPTOR KIT
TARGET -> INHIBITOR
INHIBITOR
IC50
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
LEUKOCYTE TYROSINE KINASE RECEPTOR
TARGET -> INHIBITOR
OATP1B1
TRANSPORTER -> INHIBITOR
WEAK
IC50
CYTOCHROME P450 2C19
METABOLIC ENZYME -> INHIBITOR
WEAK
IC50
RECEPTOR-TYPE TYROSINE-PROTEIN KINASE FLT3 D835Y
TARGET -> INHIBITOR
OCT-1
TRANSPORTER -> INHIBITOR
IC50
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
IC50
TYROSINE-PROTEIN KINASE RECEPTOR UFO
TARGET -> INHIBITOR
IC50
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
OCT-2
TRANSPORTER -> INHIBITOR
WEAK
IC50
RECEPTOR-TYPE TYROSINE-PROTEIN KINASE FLT3
TARGET -> INHIBITOR
INHIBITOR
IC50
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> INHIBITOR
IC50
Related Record Type Details
Structure of GILTERITINIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Blood-to-plasma ratio PHARMACOKINETIC
Tmax PHARMACOKINETIC ORAL

Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC Vc/F

Vp/F

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