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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17ClN6O
Molecular Weight 416.863
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUVELISIB

SMILES

C[C@H](NC1=C2N=CNC2=NC=N1)C3=CC4=C(C(Cl)=CC=C4)C(=O)N3C5=CC=CC=C5

InChI

InChIKey=SJVQHLPISAIATJ-ZDUSSCGKSA-N
InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DUVELISIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
1(2H)-ISOQUINOLINONE, 8-CHLORO-2-PHENYL-3-((1S)-1-(9H-PURIN-6-YLAMINO)ETHYL)-
Systematic Name English
IPI-145
Code English
Duvelisib [WHO-DD]
Common Name English
duvelisib [INN]
Common Name English
(S)-3-(1-(9H-PURIN-6-YLAMINO)ETHYL)-8-CHLORO-2-PHENYLISOQUINOLIN-1(2H)-ONE
Systematic Name English
DUVELISIB [MI]
Common Name English
INK-1197
Code English
DUVELISIB [ORANGE BOOK]
Common Name English
DUVELISIB [USAN]
Common Name English
INK-1147
Code English
Classification Tree Code System Code
NCI_THESAURUS C2152
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
FDA ORPHAN DRUG 703019
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
FDA ORPHAN DRUG 399913
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
FDA ORPHAN DRUG 394413
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
EU-Orphan Drug EU/3/13/1125
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
Code System Code Type Description
DRUG BANK
DB11952
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
PUBCHEM
50905713
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
ChEMBL
CHEMBL3039502
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
NCI_THESAURUS
C99225
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
RXCUI
2058509
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
MERCK INDEX
m12094
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
USAN
AB-61
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
DRUG CENTRAL
5296
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
INN
9856
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
DAILYMED
610V23S0JI
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
WIKIPEDIA
Duvelisib
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
LACTMED
Duvelisib
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID80152697
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
CAS
1201438-56-3
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
SMS_ID
100000166112
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
FDA UNII
610V23S0JI
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY
EVMPD
SUB180102
Created by admin on Sat Dec 16 01:41:55 UTC 2023 , Edited by admin on Sat Dec 16 01:41:55 UTC 2023
PRIMARY