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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H18FN5O4S3
Molecular Weight 567.635
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AUM-302

SMILES

COC1=NC=C2C=C1NS(=O)(=O)C3=CC=C(F)C(=C3)C(=O)NCC4=CC=C(S4)C5=NC=NC6=C5SC2=C6C

InChI

InChIKey=WHJIHZSXTQRCNX-UHFFFAOYSA-N
InChI=1S/C25H18FN5O4S3/c1-12-20-23-21(30-11-29-20)19-6-3-14(36-19)10-27-24(32)16-8-15(4-5-17(16)26)38(33,34)31-18-7-13(22(12)37-23)9-28-25(18)35-2/h3-9,11,31H,10H2,1-2H3,(H,27,32)

HIDE SMILES / InChI

Molecular Formula C25H18FN5O4S3
Molecular Weight 567.635
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 19:34:15 UTC 2023
Edited
by admin
on Sat Dec 16 19:34:15 UTC 2023
Record UNII
F7WQK85U32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AUM-302
Code English
IBL-302
Code English
19H-22,25-Epithio-4,6:7,11:14,18-trimetheno-12H-pyrimido[5,4-j][1,9,2,5,17]dithiatriazacyclotricosin-19-one, 17-fluoro-20,21-dihydro-10-methoxy-29-methyl-, 13,13-dioxide
Systematic Name English
AUM302
Code English
Code System Code Type Description
PUBCHEM
71041971
Created by admin on Sat Dec 16 19:34:16 UTC 2023 , Edited by admin on Sat Dec 16 19:34:16 UTC 2023
PRIMARY
CAS
1414455-21-2
Created by admin on Sat Dec 16 19:34:16 UTC 2023 , Edited by admin on Sat Dec 16 19:34:16 UTC 2023
PRIMARY
FDA UNII
F7WQK85U32
Created by admin on Sat Dec 16 19:34:16 UTC 2023 , Edited by admin on Sat Dec 16 19:34:16 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
HTRF technology assay
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
HTRF technology assay
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
TARGET -> INHIBITOR
ADP-Glo
IC50
TARGET -> INHIBITOR
HTRF technology assay.
IC50
TARGET -> INHIBITOR
HTRF technology assay
IC50