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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15BrF2N4O2
Molecular Weight 437.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELOTANSERIN

SMILES

COC1=CC=C(NC(=O)NC2=CC=C(F)C=C2F)C=C1C3=C(Br)C=NN3C

InChI

InChIKey=COSPVUFTLGQDQL-UHFFFAOYSA-N
InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)

HIDE SMILES / InChI

Molecular Formula C18H15BrF2N4O2
Molecular Weight 437.238
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 17:58:22 UTC 2023
Edited
by admin
on Sat Dec 16 17:58:22 UTC 2023
Record UNII
4ZA73QEW2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NELOTANSERIN
INN   USAN  
INN   USAN  
Official Name English
APD125
Code English
nelotanserin [INN]
Common Name English
1-(3-(4-BROMO-2-METHYL-2H-PYRAZOL-3-YL)-4-METHOXYPHENYL)-3-(2,4- DIFLUOROPHENYL)UREA
Systematic Name English
1-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
Systematic Name English
UREA, N-(3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL)-N'-(2,4-DIFLUOROPHENYL)-
Systematic Name English
NELOTANSERIN [USAN]
Common Name English
APD-125
Code English
Classification Tree Code System Code
NCI_THESAURUS C66885
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
Code System Code Type Description
SMS_ID
300000034287
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
FDA UNII
4ZA73QEW2P
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
DRUG BANK
DB12555
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
WIKIPEDIA
NELOTANSERIN
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
NCI_THESAURUS
C83996
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
INN
9109
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL598172
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
CAS
839713-36-9
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
MESH
C546600
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID40232868
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
PUBCHEM
11683556
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
USAN
UU-15
Created by admin on Sat Dec 16 17:58:22 UTC 2023 , Edited by admin on Sat Dec 16 17:58:22 UTC 2023
PRIMARY
Related Record Type Details
TARGET->INVERSE AGONIST
Was under development for the treatment of insomnia. Development was halted in December 2008 because the substance did not meet the trial's effectiveness endpoints.recently, nelotanserin has been repurposed for the treatment of Lewy body disease.
Related Record Type Details
ACTIVE MOIETY