Details of the Drug

General Information of Drug (ID: DM845NM)

Drug Name
YM-992
Synonyms
Lubazodone HCl; Lubazodone hydrochloride; Lubazodone hydrochloride [USAN]; YM992; Lubazodone (TN); Lubazodone hydrochloride (USAN); SM-50C; YM-35992; (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine hydrochloride; (S)-2-(((7-fluoro-4-indanyl)oxy)methyl)morpholine hydrochloride
Indication
Disease Entry ICD 11 Status REF
Depression 6A70-6A7Z Discontinued in Phase 2 [1]
Therapeutic Class
Psychiatric
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 287.76
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C14H19ClFNO2
IUPAC Name
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine;hydrochloride
Canonical SMILES
C1CC2=C(C=CC(=C2C1)F)OC[C@@H]3CNCCO3.Cl
InChI
InChI=1S/C14H18FNO2.ClH/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;1H/t10-;/m0./s1
InChIKey
HWEMEKZYQCJVEZ-PPHPATTJSA-N
Cross-matching ID
PubChem CID
157918
ChEBI ID
CHEMBL1822892
CAS Number
161178-10-5
TTD ID
D01ESB
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Inhibitor [2]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Depression
ICD Disease Classification 6A70-6A7Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008166)
2 Serotonin reuptake inhibitors: the corner stone in treatment of depression for half a century--a medicinal chemistry survey. Curr Top Med Chem. 2006;6(17):1801-23.