Details of the Drug

General Information of Drug (ID: DMOFTRE)

Drug Name
Cizolirtine
Synonyms Cizolirtine [INN]; N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine; N,N-dimethyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
Indication
Disease Entry ICD 11 Status REF
Neuropathic pain 8E43.0 Phase 2 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 259.35
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H21N3O
IUPAC Name
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
Canonical SMILES
CN1C(=CC=N1)C(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C15H21N3O/c1-17(2)11-12-19-15(13-7-5-4-6-8-13)14-9-10-16-18(14)3/h4-10,15H,11-12H2,1-3H3
InChIKey
DCMJBKFKXGPPMT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132412
CAS Number
142155-43-9
TTD ID
D04BUH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcitonin gene-related peptide 1 (CALCA) TTVSFJW CALCA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neuropathic pain
ICD Disease Classification 8E43.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Calcitonin gene-related peptide 1 (CALCA) DTT CALCA 1.80E-07 -0.32 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.