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Details

Stereochemistry ACHIRAL
Molecular Formula C23H29ClN6O3
Molecular Weight 472.968
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LBP-1

SMILES

NC(=O)CN1CCN(CC2=NC(=NO2)C3=CN(CC4CCOCC4)C5=C3C=CC=C5Cl)CC1

InChI

InChIKey=AKWUNZFZIXEOPV-UHFFFAOYSA-N
InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31)

HIDE SMILES / InChI

Molecular Formula C23H29ClN6O3
Molecular Weight 472.968
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 12:13:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:47 GMT 2023
Record UNII
505K9LJ4MX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LBP-1
Code English
1-PIPERAZINEACETAMIDE, 4-((3-(7-CHLORO-1-((TETRAHYDRO-2H-PYRAN-4-YL)METHYL)-1H-INDOL-3-YL)-1,2,4-OXADIAZOL-5-YL)METHYL)-
Systematic Name English
2-(4-((3-(7-CHLORO-1-(TETRAHYDROPYRAN-4-YLMETHYL)INDOL-3-YL)-1,2,4-OXADIAZOL-5-YL)METHYL)PIPERAZIN-1-YL)ACETAMIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50648411
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
PRIMARY
PUBCHEM
25006676
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
PRIMARY
FDA UNII
505K9LJ4MX
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
PRIMARY
CAS
1050478-18-6
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
PRIMARY
WIKIPEDIA
LBP-1 (drug)
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Novel, low brain penetrant, orally bioavailable CB1 receptor agonists were designed using calculated polar surface area as a predictor of CNS permeability. This approach led to the discovery of LBP1, an orally bioavailable, low brain penetrant CB1 receptor agonist with robust activity in rodent models of neuropathic pain and a good preclinical therapeutic profile.