Details of the Drug

General Information of Drug (ID: DMJKBAY)

Drug Name

NGX-267

Synonyms

503431-81-0; AF267B; (2S)-2-ETHYL-8-METHYL-1-THIA-4,8-DIAZASPIRO[4,5]DECAN-3-ONE; UNII-8D3PZX7G73; AF 267B; 8D3PZX7G73; (S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one; NGX-267; NGX267; NGX 267; SCHEMBL3651146; CTK1G8674; DTXSID40198399; AF-267B; PHOZOHFUXHPOCK-QMMMGPOBSA-N; ZINC13816318; AKOS025295388; NCGC00162382-01; RT-005412; FT-0668336; (S)-2-Ethyl-8-methyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one; 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 2-ethyl-8-methyl-, (2S)-

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

214.33

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H18N2OS
IUPAC Name: (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
Canonical SMILES: CC[C@H]1C(=O)NC2(S1)CCN(CC2)C
InChI: InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKey: PHOZOHFUXHPOCK-QMMMGPOBSA-N

Cross-matching ID

PubChem CID: 10013505
CAS Number: 503431-81-0
TTD ID: D0R1YL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Agonist	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Schizophrenia

ICD Disease Classification

6A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00637793) Study of NGX267 Oral Capsules in Patients With Xerostomia Associated With Sjorgren's Syndrome. U.S. National Institutes of Health.
2	Pharmacological comparison of muscarinic ligands: historical versus more recent muscarinic M1-preferring receptor agonists. Eur J Pharmacol. 2009 Mar 1;605(1-3):53-6.