Details of the Drug

General Information of Drug (ID: DM16U5F)

Drug Name
1-(3-Methoxy-naphthalen-2-yl)-1H-imidazole
Synonyms
1H-Imidazole, 1-(3-methoxy-2-naphthalenyl)-; 674309-81-0; CHEMBL194472; SCHEMBL4508354; BDBM8917; CTK1H7855; DTXSID70465102; Imidazole-substituted naphthalene 24; ZINC13674482; AKOS030619217; 1-(3-methoxy-2-naphthyl)-1h-imidazole
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 224.26
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H12N2O
IUPAC Name
1-(3-methoxynaphthalen-2-yl)imidazole
Canonical SMILES
COC1=CC2=CC=CC=C2C=C1N3C=CN=C3
InChI
InChI=1S/C14H12N2O/c1-17-14-9-12-5-3-2-4-11(12)8-13(14)16-7-6-15-10-16/h2-10H,1H3
InChIKey
HDJQGQGNKJFUSV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11413434
CAS Number
674309-81-0
TTD ID
D03KLN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Steroid 11-beta-hydroxylase (CYP11B1) TTIQUX7 C11B1_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 Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Steroid 11-beta-hydroxylase (CYP11B1) DTT CYP11B1 4.31E-04 -0.03 -0.13
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart fa... J Med Chem. 2005 Oct 20;48(21):6632-42.