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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.