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
CHEMBL44229
CAS Number
120-18-3
UNII
O9S4K2S25E
DrugBank ID
DB08254
TTD ID
D0N0PI
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.