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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21FN6O2S
Molecular Weight 488.537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILORASERTIB

SMILES

NC1=NC=C(C2=CN(CCO)N=C2)C3=C1C(=CS3)C4=CC=C(NC(=O)NC5=CC(F)=CC=C5)C=C4

InChI

InChIKey=WPHKIQPVPYJNAX-UHFFFAOYSA-N
InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)

HIDE SMILES / InChI
Molecular Formula C25H21FN6O2S
Molecular Weight 488.537
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 01:29:28 UTC 2023
Edited
by admin
on Sat Dec 16 01:29:28 UTC 2023
Record UNII
6L5D03D975
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILORASERTIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
ILORASERTIB [USAN]
Common Name English
Ilorasertib [WHO-DD]
Common Name English
UREA, N-(4-(4-AMINO-7-(1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-YL)THIENO(3,2-C)PYRIDIN-3-YL)PHENYL)-N'-(3-FLUOROPHENYL)-
Systematic Name English
ABBOTT-968660
Code English
A-968660.0
Code English
N-(4-(4-AMINO-7-(1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-YL)THIENO(3,2-C)PYRIDIN-3-YL(PHENYL)-N'-(3-FLUOROPHENYL)UREA
Common Name English
ilorasertib [INN]
Common Name English
ABT-348
Code English
A-968660
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 364212
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
FDA ORPHAN DRUG 337811
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
NCI_THESAURUS C1404
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID10153718
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
PUBCHEM
46207586
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL1980297
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
FDA UNII
6L5D03D975
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
USAN
YY-111
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
CAS
1227939-82-3
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
DRUG BANK
DB11694
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
SMS_ID
100000175009
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
EU-Orphan Drug
EU/3/12/1001(WITHDRAWN)
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY Please note that this product was withdrawn from the Community Register of designated Orphan Medicinal Products in April 2015 on request of the Sponsor. On 6 June 2012, orphan designation (EU/3/12/1001) was granted by the European Commission to Abbott Laboratories, United Kingdom, for 1-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl] thieno [3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea for the treatment of ovarian cancer. The sponsorship was transferred to AbbVie Ltd, United Kingdom, in January 2013.
EU-Orphan Drug
EU/3/11/915(WITHDRAWN)
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY Please note that this product was withdrawn from the Community Register of designated Orphan Medicinal Products in April 2015 on request of the Sponsor. On 27 October 2011, orphan designation (EU/3/11/915) was granted by the European Commission to Abbott Laboratories, United Kingdom, for 1-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H- pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea for the treatment of acute myeloid leukaemia. The sponsorship was transferred to AbbVie Ltd, United Kingdom, in January 2013.
NCI_THESAURUS
C116729
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
INN
9670
Created by admin on Sat Dec 16 01:29:28 UTC 2023 , Edited by admin on Sat Dec 16 01:29:28 UTC 2023
PRIMARY
Related Record Type Details
MAST/STEM CELL GROWTH FACTOR RECEPTOR KIT
TARGET -> INHIBITOR
AURORA KINASE A
TARGET -> INHIBITOR
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
PLATELET-DERIVED GROWTH FACTOR RECEPTOR ALPHA
TARGET -> INHIBITOR
RECEPTOR-TYPE TYROSINE-PROTEIN KINASE FLT3
TARGET -> INHIBITOR
MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR
TARGET -> INHIBITOR
PLATELET-DERIVED GROWTH FACTOR RECEPTOR BETA
TARGET -> INHIBITOR
AURORA KINASE C
TARGET -> INHIBITOR
AURORA KINASE B
TARGET -> INHIBITOR
Related Record Type Details
Structure of ILORASERTIB
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