NLA

NAPHTHALEN-1-YL-ACETIC ACID

Created: 2002-05-22
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count11
2D diagram of NLA
Toggle HydrogenToggle Labels

Chemical Component Summary

NameNAPHTHALEN-1-YL-ACETIC ACID
Systematic Name (OpenEye OEToolkits)2-naphthalen-1-ylethanoic acid
FormulaC12 H10 O2
Molecular Weight186.207
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)Cc2cccc1ccccc12
SMILESCACTVS3.341OC(=O)Cc1cccc2ccccc12
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)cccc2CC(=O)O
Canonical SMILESCACTVS3.341 OC(=O)Cc1cccc2ccccc12
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)cccc2CC(=O)O
InChIInChI1.03 InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKeyInChI1.03 PRPINYUDVPFIRX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01750 
Name1-naphthaleneacetic acid
Groups experimental
Synonyms
  • naphthalene-1-acetic acid
  • 1-naphthaleneacetic acid
  • α-naphthaleneacetic acid
  • 1-Naphthylacetic acid
  • NAA
CategoriesNaphthalenes
CAS number86-87-3

Drug Targets

NameTarget SequencePharmacological ActionActions
S-phase kinase-associated protein 1MPSIKLQSSDGEIFEVDVEIAKQSVTIKTMLEDLGMDDEGDDDPVPLPNV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6862
ChEMBL CHEMBL428495
ChEBI CHEBI:32918
CCDC/CSD NAPACA11, NAPACA12, NAPACA13, YUKVEI, YAXDUY, TIHPAC, AHATEI, IXAFOC, YUKVIM
COD 2220269, 2214743