Details of the Drug

General Information of Drug (ID: DMN4RV0)

Drug Name

PRX-00023

Synonyms

Naluzotan; 740873-06-7; PRX-00023; UNII-LQ54E5B4EW; LQ54E5B4EW; CHEMBL209821; Naluzotan [USAN:INN]; PRX 00023; Naluzotan (USAN/INN); SCHEMBL678016; ZINC3963096; BCP20177; BDBM50187377; CS-6740; SB16847; N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide; HY-14848; AN-27536; D09358; L001689; 833C676; Acetamide, N-(3-(4-(4-(((cyclohexylmethyl)sulfonyl)amino)butyl)-1-piperazinyl)phenyl)-; N-(3-[4-(4-Cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl]phenyl)acetamide

Indication

Disease Entry	ICD 11	Status	REF
Mood disorder	6A60-6E23	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

450.6

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C23H38N4O3S
IUPAC Name: N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
Canonical SMILES: CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3
InChI: InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
InChIKey: SPWZXWDPAWDKQE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11430856
CAS Number: 740873-06-7
TTD ID: D08AWI
VARIDT ID: DR00749

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Mood disorder

ICD Disease Classification

6A60-6E23

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
2	PRX-00023, a selective serotonin 1A receptor agonist, reduces ultrasonic vocalizations in infant rats bred for high infantile anxiety.Pharmacol Biochem Behav.2009 Nov;94(1):8-15.