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Details

Stereochemistry RACEMIC
Molecular Formula C26H24FN3O3
Molecular Weight 445.4855
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SHA-68

SMILES

FC1=CC=C(CNC(=O)N2CCN3C(C2)C(OC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)C=C1

InChI

InChIKey=SFRQIPRTNYHJHP-UHFFFAOYSA-N
InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)

HIDE SMILES / InChI

Molecular Formula C26H24FN3O3
Molecular Weight 445.4855
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q6W5P4|||Q6JSL6
Gene ID: 387129.0
Gene Symbol: NPSR1
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Wed Apr 02 13:39:59 GMT 2025
Edited
by admin
on Wed Apr 02 13:39:59 GMT 2025
Record UNII
8Q99A974BL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3H-OXAZOLO(3,4-A)PYRAZINE-7(1H)-CARBOXAMIDE, N-((4-FLUOROPHENYL)METHYL)TETRAHYDRO-3-OXO-1,1-DIPHENYL-
Preferred Name English
SHA-68
Common Name English
N-((4-FLUOROPHENYL)METHYL)TETRAHYDRO-3-OXO-1,1-DIPHENYL-3H-OXAZOLO(3,4-A)PYRAZINE-7(1H)-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
SHA-68
Created by admin on Wed Apr 02 13:39:59 GMT 2025 , Edited by admin on Wed Apr 02 13:39:59 GMT 2025
PRIMARY
FDA UNII
8Q99A974BL
Created by admin on Wed Apr 02 13:39:59 GMT 2025 , Edited by admin on Wed Apr 02 13:39:59 GMT 2025
PRIMARY
PUBCHEM
11374217
Created by admin on Wed Apr 02 13:39:59 GMT 2025 , Edited by admin on Wed Apr 02 13:39:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID801028552
Created by admin on Wed Apr 02 13:39:59 GMT 2025 , Edited by admin on Wed Apr 02 13:39:59 GMT 2025
PRIMARY
CAS
847553-89-3
Created by admin on Wed Apr 02 13:39:59 GMT 2025 , Edited by admin on Wed Apr 02 13:39:59 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ANTAGONIST