Details of the Drug

General Information of Drug (ID: DM9DXHM)

Drug Name
RPR121154
Synonyms RPR-121154
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): 0 Molecular Weight (mw) 345.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C22H23N3O
IUPAC Name
2-methyl-1-[3-phenyl-4-(2-phenylethoxy)phenyl]guanidine
Canonical SMILES
CN=C(N)NC1=CC(=C(C=C1)OCCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H3,23,24,25)
InChIKey
QXDMVRPQHNFBSZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10020451
TTD ID
D03TBA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
C5a anaphylatoxin chemotactic receptor (C5AR1) TTHXFA1 C5AR1_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 Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
C5a anaphylatoxin chemotactic receptor (C5AR1) DTT C5AR1 3.99E-01 1.19 0.77
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: 580).
2 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. (Target id: 32).