Details of the Drug

General Information of Drug (ID: DMLHWNG)

Drug Name
Naphthalene-2,6-disulfonic acid
Synonyms
Naphthalene-2,6-disulfonic acid; 581-75-9; 2,6-NAPHTHALENEDISULFONIC ACID; 2,6-Naphthalene disulfonic acid; Ebert-Merz beta-acid; Naphthalene-2,6-disulphonic acid; UNII-BOR133U3TN; Ebert-Merz .beta.-acid; BOR133U3TN; CHEBI:41070; NSC37041; BIH; EINECS 209-471-9; NSC 37041; AC1L1X9A; 2,6-Naphthalenedisulfonicacid; SCHEMBL300937; CHEMBL1206869; DTXSID2060385; CTK1H0701; 2, 6-Naphthalenedisulfonic acid; FITZJYAVATZPMJ-UHFFFAOYSA-N; ZINC1669723; NSC-37041; AKOS015897573; OR51838; 2,6-NAPHTHALENEDISULPHONIC ACID; VZ33464; 1655-45-4 (di-hyd
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) 288.3
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H8O6S2
IUPAC Name
naphthalene-2,6-disulfonic acid
Canonical SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1S(=O)(=O)O
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
FITZJYAVATZPMJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11390
ChEBI ID
CHEMBL41070
CAS Number
581-75-9
UNII
BOR133U3TN
DrugBank ID
DB04640
TTD ID
D0M6CB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
L-lactate dehydrogenase (LDH) TTAZHU0 LDHA_HUMAN ; LDHB_HUMAN ; LDHC_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.