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]
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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
TTD ID: D05UWW

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.