Details of the Drug

General Information of Drug (ID: DML5URN)

• Drug Name: (+/-)-2-Aminoindane-2-carboxylic acid
• Synonyms: 27473-62-7; 2-Amino-2-indancarboxylic acid; 2-amino-2,3-dihydro-1H-indene-2-carboxylic acid; 2-Aminoindane-2-carboxylic acid; 2-AMINOINDAN-2-CARBOXYLIC ACID; 2-Aminoindan-2-carboxylicacid; 2-Amino-indan-2-carboxylic acid; 2-amino-1,3-dihydroindene-2-carboxylic acid; CHEMBL1082953; 2-azanyl-1,3-dihydroindene-2-carboxylic acid; 1H-Indene-2-carboxylicacid, 2-amino-2,3-dihydro-; 2-amino-2-indancarboxylicacid; NSC70943; (+/-)-2-Aminoindane-2-carboxylic acid; AC1L5IQE; AC1Q50FV; AC1Q5UK7; SCHEMBL122942; 1H-Indene-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 177.2
  Logarithm of the Partition Coefficient (xlogp); -1.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H11NO2
  IUPAC Name: 2-amino-1,3-dihydroindene-2-carboxylic acid
  Canonical SMILES: C1C2=CC=CC=C2CC1(C(=O)O)N
  InChI: InChI=1S/C10H11NO2/c11-10(9(12)13)5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,11H2,(H,12,13)
  InChIKey: UHQFXIWMAQOCAN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 250936
  CAS Number: 27473-62-7
  TTD ID: D0SC5V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Large neutral amino acids transporter 1 (SLC7A5)	TTPH2JB	LAT1_HUMAN	Inhibitor	[1]

References

• [1] Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3688-91.