Details of the Drug

General Information of Drug (ID: DMYTUNE)

• Drug Name: 5-AMINO-NAPHTALENE-2-MONOSULFONATE
• Synonyms: 119-79-9; 5-Amino-2-naphthalenesulfonic acid; 5-aminonaphthalene-2-sulfonic acid; 1,6-Cleve's acid; 1-Aminonaphthalene-6-sulfonic acid; 2-Naphthalenesulfonic acid, 5-amino-; 1-NAPHTHYLAMINE-6-SULFONIC ACID; Kyselina cleve; 1-Amino-6-naphthalenesulfonic acid; 5-Aminonaphthalene-2-sulphonic acid; Cleve's acid-1,6; 5-Naphthylamine-2-sulfonic acid; 1-Amino-6-sulfonaphthalene; Cleve's beta-acid; Cleve's acid, mixed; Kyselina cleve [Czech]; Kyselina 1-naftylamin-6-sulfonova; 51548-48-2; NSC 31506; UNII-59G56TB11B; Cleve's .beta.-aci

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 223.25
  Logarithm of the Partition Coefficient (xlogp); -0.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H9NO3S
  IUPAC Name: 5-aminonaphthalene-2-sulfonic acid
  Canonical SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N
  InChI: InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)
  InChIKey: UWPJYQYRSWYIGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 8408
  ChEBI ID: CHEBI:44188
  CAS Number: 119-79-9
  UNII: 59G56TB11B
  DrugBank ID: DB08238
  TTD ID: D0I7FI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Heparin-binding growth factor 1 (FGF1)	TTMY81X	FGF1_HUMAN	Inhibitor	[1]

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
Heparin-binding growth factor 1 (FGF1)	DTT	FGF1	9.56E-01	-0.02	-0.11

References

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