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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H17N5O3
Molecular Weight 363.37
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERABELISIB

SMILES

NC1=NC2=C(O1)C=CC(=C2)C3=CN4C(=CN=C4C=C3)C(=O)N5CCOCC5

InChI

InChIKey=BLGWHBSBBJNKJO-UHFFFAOYSA-N
InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)

HIDE SMILES / InChI

Molecular Formula C19H17N5O3
Molecular Weight 363.37
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:27:12 UTC 2023
Edited
by admin
on Sat Dec 16 05:27:12 UTC 2023
Record UNII
43J9Q56T3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SERABELISIB
INN   WHO-DD  
INN  
Official Name English
MLN-1117
Code English
INK-1117
Code English
serabelisib [INN]
Common Name English
Serabelisib [WHO-DD]
Common Name English
AGN-PC-0DB6FL
Code English
METHANONE, (6-(2-AMINO-5-BENZOXAZOLYL)IMIDAZO(1,2-A)PYRIDIN-3-YL)-4-MORPHOLINYL-
Systematic Name English
(6-(2-AMINO-5-BENZOXAZOLYL)IMIDAZO(1,2-A)PYRIDIN-3-YL)-4-MORPHOLINYLMETHANONE
Systematic Name English
INK1117
Code English
MLN1117
Code English
TAK-117
Code English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
NCI_THESAURUS C2152
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
Code System Code Type Description
CAS
1268454-23-4
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
CAS
1428967-74-1
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
NO STRUCTURE GIVEN
NCI_THESAURUS
C98844
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545379
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
PUBCHEM
70798655
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
SMS_ID
100000174654
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
FDA UNII
43J9Q56T3W
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
DRUG BANK
DB14935
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545055
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
INN
10369
Created by admin on Sat Dec 16 05:27:12 UTC 2023 , Edited by admin on Sat Dec 16 05:27:12 UTC 2023
PRIMARY
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