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Details

Stereochemistry UNKNOWN
Molecular Formula C27H33N3OS
Molecular Weight 447.635
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NESS-040C5

SMILES

CC(C)C1CCC(C)CC1NC(=O)C2=NN(CC3=CC=C(C)C=C3)C4=C2CC5=C4SC=C5

InChI

InChIKey=WUNMBICZGWWVBY-UHFFFAOYSA-N
InChI=1S/C27H33N3OS/c1-16(2)21-10-7-18(4)13-23(21)28-27(31)24-22-14-20-11-12-32-26(20)25(22)30(29-24)15-19-8-5-17(3)6-9-19/h5-6,8-9,11-12,16,18,21,23H,7,10,13-15H2,1-4H3,(H,28,31)

HIDE SMILES / InChI

Molecular Formula C27H33N3OS
Molecular Weight 447.635
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:34 UTC 2023
Edited
by admin
on Sat Dec 16 10:37:34 UTC 2023
Record UNII
P6H2AAY2GE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NESS-040C5
Common Name English
THIENO(3',2':4,5)CYCLOPENTA(1,2-C)PYRAZOLE-3-CARBOXAMIDE, 1,4-DIHYDRO-N-(5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)-1-((4-METHYLPHENYL)METHYL)-
Systematic Name English
N-(2-ISOPROPYL-5-METHYLCYCLOHEXYL)-1-(4-METHYLBENZYL)-1,4-DIHYDROTHIENO(3',2':4,5)CYCLOPENTA(1,2-C)PYRAZOLE-3-CARBOXAMIDE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-NESS-040C5
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID20101000
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
NESS-040C5
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
PRIMARY
FDA UNII
P6H2AAY2GE
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
PRIMARY
CAS
1445751-90-5
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
PRIMARY
PUBCHEM
138402821
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
PRIMARY
WIKIPEDIA
NESS-040C5
Created by admin on Sat Dec 16 10:37:34 UTC 2023 , Edited by admin on Sat Dec 16 10:37:34 UTC 2023
PRIMARY NESS-040C5 is a potent cannabinoid agonist which was developed for the treatment of glaucoma. It has reasonable selectivity for the CB2 receptor subtype, having a CB2 affinity of 0.4nM, and 25x selectivity over the related CB1 receptor.
Related Record Type Details
TARGET -> AGONIST
Ki
TARGET -> AGONIST
Ki
Related Record Type Details
ACTIVE MOIETY
Prepared as a possible agent for the treatment of glaucoma