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]
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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
CAS Number: 161178-10-5
TTD ID: D01ESB

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.