Details of the Drug

General Information of Drug (ID: DMW4850)

Drug Name

RY796

Synonyms

RY 796; RY-796

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): 0

Molecular Weight (mw)

353.5

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H27N3O2
IUPAC Name: 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide
Canonical SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)C)N(C)C
InChI: InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKey: LDXZFQWWXMRMAS-OAHLLOKOSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv2.1 (KCNB1)	TT5OEKU	KCNB1_HUMAN	Inhibitor (gating inhibitor)	[2]
Voltage-gated potassium channel Kv2.2 (KCNB2)	TT5PFNG	KCNB2_HUMAN	Inhibitor (gating inhibitor)	[2]

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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: 7759).
2	Identification of novel and selective Kv2 channel inhibitors. Mol Pharmacol. 2011 Dec;80(6):959-64.