Details of the Drug

General Information of Drug (ID: DMO7U62)

Drug Name
FL104
Synonyms 885672-81-1; CHEMBL583981; [1,1'-Biphenyl]-4-carboxamide,N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-; FL104; CHEMBL204989; GTPL3501; SCHEMBL14204301; BDBM50414782; KB-63706
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 392.9
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C24H25ClN2O
IUPAC Name
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide
Canonical SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKey
JXJCJZNVWYQHIF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11663047
TTD ID
D0M9ZX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Urotensin II receptor (UTS2R) TTW5UDX UR2R_HUMAN Agonist [2]
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
Urotensin II receptor (UTS2R) DTT UTS2R 2.85E-02 -0.25 -0.57
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: 3501).
2 Novel and potent small-molecule urotensin II receptor agonists. Bioorg Med Chem. 2009 Jul 1;17(13):4657-65.