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
ChEBI ID
CHEMBL194472
CAS Number
674309-81-0
TTD ID
D03KLN
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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]
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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.