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
CHEMBL14638
CAS Number
184025-18-1
TTD ID
D0I3XA
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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.