Details of the Drug

General Information of Drug (ID: DML6FI3)

• Drug Name: Naphthalene Trisulfonate
• Synonyms: naphthalene-1,3,6-trisulfonic acid; 86-66-8; 1,3,6-Naphthalenetrisulfonic acid; Naphthalene-1,3,6-trisulphonic acid; CHEBI:32916; 123409-01-8; EINECS 201-690-8; AC1Q6WKO; 6321-17-1; 19437-42-4; SCHEMBL305166; AC1L1I64; CHEMBL1160117; DTXSID9058945; CTK2F6984; ZPBSAMLXSQCSOX-UHFFFAOYSA-N; ZINC1664865; Naphtalene-1,3,6-trisulfonic acid; 3611AC; AKOS015964183; OR51840; AJ-28977; AX8143250; KB-258586; ST50826289; 1,3, -Naphthalenetrisulfonicacid, trisodium salt, hydrate (9CI)

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); 365.3
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C10H5O9S3-3
  IUPAC Name: naphthalene-1,3,6-trisulfonate
  Canonical SMILES: C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
  InChI: InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
  InChIKey: ZPBSAMLXSQCSOX-UHFFFAOYSA-K
• Cross-matching ID:
  PubChem CID: 4437
  ChEBI ID: CHEBI:44434
  CAS Number: 19437-42-4
  DrugBank ID: DB04409
  TTD ID: D07WQA

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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.