Details of the Drug

General Information of Drug (ID: DM9N8WM)

Drug Name
Ciproxifan
Synonyms
ciproxifan; 184025-18-1; FUB-359; FUB 359; FUB359; UNII-5EVQ7IRG99; 5EVQ7IRG99; CHEMBL14638; ACQBHJXEAYTHCY-UHFFFAOYSA-N; cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone; (4-(3-(1H-imidazol-4-yl)propoxy)phenyl)(cyclopropyl)methanone; Ciproxifan; FUB 359; Methanone, cyclopropyl(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)-; Ciproxifan (FUB-359); AC1O4Y0P; GTPL1265; SCHEMBL3335184; BDBM27213; EX-A077; DTXSID50171532; cyclopropyl-(4-(3-1H-imidazol-4-yl)propyloxyphenyl)ketone; CHEBI:125467; MolPort-027-720-958; ZINC1892860
Indication
Disease Entry ICD 11 Status REF
Dementia 6D80-6D86 Investigative [1]
Obesity 5B81 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 270.33
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H18N2O2
IUPAC Name
cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
Canonical SMILES
C1CC1C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3
InChI
InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
InChIKey
ACQBHJXEAYTHCY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6422124
ChEBI ID
CHEBI:125467
CAS Number
184025-18-1
TTD ID
D0I3XA
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Antagonist [2]
Adrenergic receptor alpha-2A (ADRA2A) TTWG9A4 ADA2A_HUMAN Antagonist [2]
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Antagonist [2]
Histamine H3 receptor (H3R) TT9JNIC HRH3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Dementia
ICD Disease Classification 6D80-6D86
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H3 receptor (H3R) DTT HRH3 3.62E-02 -0.09 -0.22
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
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: 1265).
2 The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.