Details of the Drug

General Information of Drug (ID: DM5XSMN)

Drug Name

[3H]Ro 63-0563

Synonyms

4-Amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide; Ro-63-0563; Ro 63-0563; CHEMBL46071; 4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide; AC1NSM3I; GTPL275; SCHEMBL679027; GTPL3246; Ro630563; BDBM50090524; Ro-630563; L000518; 4-Amino-N-(2,6-diamino-pyridin-4-yl)-benzenesulfonamide; N-(2,6-bis(methylamino)pyridin-4-yl)-4-aminobenzenesulfonamide; 4-amino-N-(2,6 bis-methylamino-pyridin-4-yl)-benzene sulfonamide

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

307.37

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C13H17N5O2S
IUPAC Name: 4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide
Canonical SMILES: CNC1=CC(=CC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N
InChI: InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
InChIKey: PTFNKZLSFWJYFJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5312144
TTD ID: D0V2PB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
5-HT 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71

Molecular Expression Atlas (MEA)

MEA Detail

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: 3246).
2	The 5-hydroxytryptamine6 receptor-selective radioligand [3H]Ro 63-0563 labels 5-hydroxytryptamine receptor binding sites in rat and porcine striatum. Mol Pharmacol. 1998 Sep;54(3):577-83.