Details of the Drug

General Information of Drug (ID: DMJU5A9)

Drug Name
RM65
Synonyms CHEMBL61824; RM65; GTPL7029; SCHEMBL17767405; BDBM50215479; 2-(9H-xanthen-9-ylsulfanyl)-N-{2-[2-(9H-xanthen-9-ylsulfanyl)propanamido]ethyl}propanamide
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): 2 Molecular Weight (mw) 596.8
Logarithm of the Partition Coefficient (xlogp) 6.6
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C34H32N2O4S2
IUPAC Name
2-(9H-xanthen-9-ylsulfanyl)-N-[2-[2-(9H-xanthen-9-ylsulfanyl)propanoylamino]ethyl]propanamide
Canonical SMILES
CC(C(=O)NCCNC(=O)C(C)SC1C2=CC=CC=C2OC3=CC=CC=C13)SC4C5=CC=CC=C5OC6=CC=CC=C46
InChI
InChI=1S/C34H32N2O4S2/c1-21(41-31-23-11-3-7-15-27(23)39-28-16-8-4-12-24(28)31)33(37)35-19-20-36-34(38)22(2)42-32-25-13-5-9-17-29(25)40-30-18-10-6-14-26(30)32/h3-18,21-22,31-32H,19-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKey
KBXOGBYQKMAAIA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23656549
ChEBI ID
CHEMBL61824
TTD ID
D05UWW
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein arginine methyltransferase 1 (PRMT1) TTVOJAI ANM1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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: 7029).
2 A novel arginine methyltransferase inhibitor with cellular activity. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4150-3.