Details of the Drug

General Information of Drug (ID: DMZ4LJ7)

Drug Name
2-NAPHTHALENESULFONIC ACID
Synonyms
120-18-3; beta-Naphthylsulfonic acid; beta-Naphthalenesulfonic acid; Naphthalene-2-sulphonic acid; 2-Naphthalene Sulfonic Acid; Kyselina 2-naftalensulfonova; UNII-O9S4K2S25E; 2-Naphthylsulfonic acid; EINECS 204-375-3; Kyselina 2-naftalensulfonova [Czech]; BRN 1955756; AI3-18435; O9S4K2S25E; CHEBI:44229; KVBGVZZKJNLNJU-UHFFFAOYSA-N; MFCD00004089; 2-Naphthalenesulfonic acid, monohydrate; W-109067; 2-Sulfonaphthalene; 2-Naphthalenesulfonic; PubChem19963; AC1L1QYN; AC1Q6WYB
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) 208.24
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H8O3S
IUPAC Name
naphthalene-2-sulfonic acid
Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
InChI
InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKey
KVBGVZZKJNLNJU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
8420
ChEBI ID
CHEBI:44229
CAS Number
120-18-3
DrugBank ID
DB08254
TTD ID
D0N0PI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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.