U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H29N3O3S
Molecular Weight 499.624
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUBABEGRON

SMILES

CC(C)(CC1=CC=C(OC2=NC=CC=C2C#N)C=C1)NC[C@H](O)COC3=CC=CC=C3C4=CC=CS4

InChI

InChIKey=WIKLBKJBYSBYLL-QHCPKHFHSA-N
InChI=1S/C29H29N3O3S/c1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27/h3-16,23,32-33H,17,19-20H2,1-2H3/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H29N3O3S
Molecular Weight 499.624
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Lubabegron was initially studied in the Eli Lilly’s lab for potential applications in human health. The drug is a beta-adrenergic agonist that has the effect of increasing the breakdown of fats and increasing energy expenditure in cells. Lubabegron is the first animal drug that was approved to reduce ammonia gas emissions from an animal or its waste. These ammonia gasses can come from many sources and can affect the health of people, animals and the environment.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Experior

Approved Use

drug that reduces gas emissions from an animal or its waste

Launch Date

1.54137605E12

Sample Use Guides

In Vivo Use Guide
fed to beef cattle under specific conditions
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Thu Jul 06 11:25:42 UTC 2023
Edited
by admin
on Thu Jul 06 11:25:42 UTC 2023
Record UNII
8501207BZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUBABEGRON
INN   USAN  
INN   USAN  
Official Name English
LUBABEGRON [USAN]
Common Name English
LY-488756
Code English
2-{4-[2-({(2S)-2-Hydroxy-3-[2-(thiophen-2-yl)phenoxy]propyl}amino)-2-methylpropyl]phenoxy}pyridine-3-carbonitrile
Systematic Name English
3-PYRIDINECARBONITRILE, 2-(4-(2-(((2S)-2-HYDROXY-3-(2-(2-THIENYL)PHENOXY)PROPYL)AMINO)-2-METHYLPROPYL)PHENOXY)-
Systematic Name English
LY488756
Code English
lubabegron [INN]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20192436
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
FDA UNII
8501207BZX
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
USAN
ZZ-87
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
NCI_THESAURUS
C175118
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
DAILYMED
8501207BZX
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
INN
9752
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
RXCUI
2360331
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
CAS
391920-32-4
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
PUBCHEM
60085980
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
SMS_ID
300000034339
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
ChEMBL
CHEMBL2364615
Created by admin on Thu Jul 06 11:25:42 UTC 2023 , Edited by admin on Thu Jul 06 11:25:42 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY