Details of the Drug

General Information of Drug (ID: DMX768L)

Drug Name
(+/-)-2-Amino-1,2,3,4-tetrahydro-2-naphthoic acid
Synonyms
2-Aminotetralin-2-carboxylic acid; 74444-77-2; D,L-2-Aminotetralin-2-carboxylic acid; 2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid; 6331-63-1; CHEMBL8708; 2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid; 2-Amino-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid; 2-AMINO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENECARBOXYLIC ACID; 2-Naphthalenecarboxylic acid, 2-amino-1,2,3,4-tetrahydro-; ACMC-20apiw; ACMC-20apfh; CB 1647; AC1L5ULH; SCHEMBL268919; (+/-)-2-Amino-1,2,3,4-tetrahydro-2-naphthoic acid; NIOSH/QL2303010
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) 191.23
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H13NO2
IUPAC Name
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Canonical SMILES
C1CC(CC2=CC=CC=C21)(C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,12H2,(H,13,14)
InChIKey
CDULPPOISZOUTK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
235533
CAS Number
74444-77-2
TTD ID
D01BCL

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.