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
Structure
3D MOL 2D MOL
#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
CHEMBL44434
CAS Number
19437-42-4
DrugBank ID
DB04409
TTD ID
D07WQA
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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