Details of the Drug

General Information of Drug (ID: DMTBZJL)

Drug Name
1-Naphthalen-2-yl-1H-imidazole
Synonyms
1-(naphthalen-2-yl)-1H-imidazole; 1-(2-naphthyl)-1h-imidazole; 25372-01-4; 1H-Imidazole, 1-(2-naphthalenyl)-; SCHEMBL2071832; CHEMBL195996; BDBM8916; MolPort-009-323-053; Imidazole-substituted naphthalene 23; ZINC13674480; AKOS034336039; MCULE-9753314459
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) 194.23
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C13H10N2
IUPAC Name
1-naphthalen-2-ylimidazole
Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)N3C=CN=C3
InChI
InChI=1S/C13H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-10H
InChIKey
LHAAPZJTEBPKBJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23644748
ChEBI ID
CHEMBL195996
TTD ID
D0G6QL
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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.