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
Structure
3D MOL 2D MOL
#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
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 Interaction Atlas (MIA) 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
Heparin-binding growth factor 1 (FGF1) DTT FGF1 9.56E-01 -0.02 -0.11
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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