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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18FNO2
Molecular Weight 251.2966
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUBAZODONE

SMILES

FC1=CC=C(OC[C@@H]2CNCCO2)C3=C1CCC3

InChI

InChIKey=HTODIQZHVCHVGM-JTQLQIEISA-N
InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18FNO2
Molecular Weight 251.2966
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Lubazodone (YM 992) or (S)-2-[[(7-fluoro-4-indanyl)oxy]methyl]morpholine monohydrochloride, exhibited the biochemical profile of a selective serotonin (5-HT) reuptake inhibitor (SSRI) with 5-HT2A receptor antagonistic activity. It has been studied in the treatment of depression.

CNS Activity

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P14842
Gene ID: 29595.0
Gene Symbol: Htr2a
Target Organism: Rattus norvegicus (Rat)
86.0 nM [Ki]
Target ID: P31652
Gene ID: 25553.0
Gene Symbol: Slc6a4
Target Organism: Rattus norvegicus (Rat)
21.0 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Investigation of the high partition of YM992, a novel antidepressant, in rat brain - in vitro and in vivo evidence for the high binding in brain and the high permeability at the BBB.
2002 Dec
Effect of YM992, a novel antidepressant with selective serotonin re-uptake inhibitory and 5-HT 2A receptor antagonistic activity, on a marble-burying behavior test as an obsessive-compulsive disorder model.
2002 Oct
Effects of serotonin (5-hydroxytryptamine, 5-HT) reuptake inhibition plus 5-HT(2A) receptor antagonism on the firing activity of norepinephrine neurons.
2002 Sep
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:36:43 GMT 2023
Edited
by admin
on Fri Dec 15 16:36:43 GMT 2023
Record UNII
850TB2B172
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUBAZODONE
INN  
INN  
Official Name English
lubazodone [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
Code System Code Type Description
WIKIPEDIA
LUBAZODONE
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
SMS_ID
300000036992
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID30167074
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
PUBCHEM
157919
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
CAS
161178-07-0
Created by admin on Fri Dec 15 16:36:43 GMT 2023 , Edited by admin on Fri Dec 15 16:36:43 GMT 2023
PRIMARY
ChEMBL
CHEMBL1080884
Created by admin on Fri Dec 15 16:36:43 GMT 2023 , Edited by admin on Fri Dec 15 16:36:43 GMT 2023
PRIMARY
INN
8196
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
FDA UNII
850TB2B172
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
NCI_THESAURUS
C78020
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
DRUG BANK
DB09196
Created by admin on Fri Dec 15 16:36:44 GMT 2023 , Edited by admin on Fri Dec 15 16:36:44 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY