Details of the Drug

General Information of Drug (ID: DMXRJQV)

Drug Name
Luzindole
Synonyms Luzindole, Interneuron
Indication
Disease Entry ICD 11 Status REF
Sleep-wake disorder 7A00-7B2Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H20N2O
IUPAC Name
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide
Canonical SMILES
CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
InChIKey
WVVXBPKOIZGVNS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
122162
ChEBI ID
CHEMBL286615
CAS Number
117946-91-5
TTD ID
D01ESJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melatonin receptor type 1A (MTNR1A) TT0WAIE MTR1A_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Sleep-wake disorder
ICD Disease Classification 7A00-7B2Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Melatonin receptor type 1A (MTNR1A) DTT MTNR1A 5.71E-01 -0.08 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1363).
2 Luzindole (N-0774): a novel melatonin receptor antagonist. J Pharmacol Exp Ther. 1988 Sep;246(3):902-10.