Details of the Drug

General Information of Drug (ID: DMJHXMY)

Drug Name

1-benzyl-APDC

Synonyms

CHEMBL60238; 171336-76-8; (2R,4R)-1-BENZYL-4-AMINO-PYRROLIDINE-2,4-DIcarboxylic acid; GTPL1436; SCHEMBL8061968; CTK0A8043; DTXSID60573467; ZINC39952128; BDBM50071161; DB-064818; AJ-101168; FT-0772028; 4-amino-1-(phenylmethyl)pyrrolidine-2,4-dicarboxylic acid; (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid; (2R,4R)-4-Amino-1-benzyl-pyrrolidine-2,4-dicarboxylic acid; (2R)-1-Benzyl-4-aminopyrrolidine-2beta,4alpha-dicarboxylic acid; 4-Amino-1-benzyl-pyrrolidine-2,4-dicarboxylic acid(1-benzyl-APDC)

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

264.28

Logarithm of the Partition Coefficient (xlogp)

-4.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C13H16N2O4
IUPAC Name: (2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
Canonical SMILES: C1[C@@H](N(C[C@]1(C(=O)O)N)CC2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1
InChIKey: LYCSUAGKQMUTBR-ZWNOBZJWSA-N

Cross-matching ID

PubChem CID: 15508178
CAS Number: 171336-76-8
TTD ID: D0N0NJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 6 (mGluR6)	TTWRP2F	GRM6_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1436).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 294).