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Details

Stereochemistry ACHIRAL
Molecular Formula C20H24N2O5S
Molecular Weight 404.48
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCC-950

SMILES

CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4

InChI

InChIKey=HUUSXLKCTQDPGL-UHFFFAOYSA-N
InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)

HIDE SMILES / InChI

Molecular Formula C20H24N2O5S
Molecular Weight 404.48
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q96P20|||Q59H68
Gene ID: 114548.0
Gene Symbol: NLRP3
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:56:34 GMT 2023
Edited
by admin
on Sat Dec 16 01:56:34 GMT 2023
Record UNII
6RS86E2BWQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCC-950
Code English
CP-456773
Code English
CP-456,773
Code English
MCC950
Code English
CRID3
Common Name English
N-(1,2,3,5,6,7-HEXAHYDRO-S-INDACEN-4-YLCARBAMOYL)-4-(2-HYDROXYPROPAN-2-YL)FURAN-2-SULFONAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9910393
Created by admin on Sat Dec 16 01:56:34 GMT 2023 , Edited by admin on Sat Dec 16 01:56:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID2047301
Created by admin on Sat Dec 16 01:56:34 GMT 2023 , Edited by admin on Sat Dec 16 01:56:34 GMT 2023
PRIMARY
FDA UNII
6RS86E2BWQ
Created by admin on Sat Dec 16 01:56:34 GMT 2023 , Edited by admin on Sat Dec 16 01:56:34 GMT 2023
PRIMARY
CAS
210826-40-7
Created by admin on Sat Dec 16 01:56:34 GMT 2023 , Edited by admin on Sat Dec 16 01:56:34 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY