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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H39N9O11S
Molecular Weight 637.664
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RISUTEGANIB

SMILES

C[C@@H](O)[C@H](NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N1CCC[C@H]1C(O)=O

InChI

InChIKey=MYZAXBZLEILEBR-RVFOSREFSA-N
InChI=1S/C22H39N9O11S/c1-11(32)17(20(37)31-7-3-5-14(31)21(38)39)30-19(36)13(10-43(40,41)42)29-16(34)9-27-18(35)12(28-15(33)8-23)4-2-6-26-22(24)25/h11-14,17,32H,2-10,23H2,1H3,(H,27,35)(H,28,33)(H,29,34)(H,30,36)(H,38,39)(H4,24,25,26)(H,40,41,42)/t11-,12+,13+,14+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H39N9O11S
Molecular Weight 637.664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:22:40 GMT 2023
Edited
by admin
on Sat Dec 16 11:22:40 GMT 2023
Record UNII
123DNA66IA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RISUTEGANIB
USAN   INN  
Official Name English
LUMINATE
Brand Name English
risuteganib [INN]
Common Name English
RISUTEGANIB [USAN]
Common Name English
GLY-ARG-GLY-CYA-THR-PRO
Code English
ALG1001
Code English
L-PROLINE, GLYCYL-L-ARGINYLGLYCYL-3-SULFO-L-ALANYL-L-THREONYL-
Systematic Name English
ALG-1001
Code English
Risuteganib [WHO-DD]
Common Name English
GLYCYL-L-ARGINYLGLYCYL-3-SULFO-L-ALANYL-L-THREONYL-L-PROLINE
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C166449
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
INN
11014
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
USAN
EF-50
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
DRUG BANK
DB14911
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
CAS
1307293-62-4
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
SMS_ID
300000005887
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
FDA UNII
123DNA66IA
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
PUBCHEM
130476723
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
PRIMARY
CAS
1604799-48-5
Created by admin on Sat Dec 16 11:22:40 GMT 2023 , Edited by admin on Sat Dec 16 11:22:40 GMT 2023
SUPERSEDED
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TARGET -> INHIBITOR
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