Details of the Drug

General Information of Drug (ID: DMPFX0S)

Drug Name

5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID

Synonyms

5-(dimethylamino)naphthalene-2-sulfonic acid; AC1NBV3O; 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID; SCHEMBL18300795; DB07684; 5-dimethyl-aminonaphthalene-2-sulfonic acid

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)

251.3

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H13NO3S
IUPAC Name: 5-(dimethylamino)naphthalene-2-sulfonic acid
Canonical SMILES: CN(C)C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O
InChI: InChI=1S/C12H13NO3S/c1-13(2)12-5-3-4-9-8-10(17(14,15)16)6-7-11(9)12/h3-8H,1-2H3,(H,14,15,16)
InChIKey: VENHBDIMAAXWKI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4474224
DrugBank ID: DB07684
TTD ID: D03CKG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tissue-type plasminogen activator (PLAT)	TTXAGYU	TPA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.