Details of the Drug

General Information of Drug (ID: DMYW40T)

Drug Name

(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylate

Synonyms

(2R,4R)-4-Aminopyrrolidine-2,4-dicarboxylic acid; (2R,4R)-APDC; (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid; 169209-63-6; 2R,4R-APDC; CHEMBL40086; CHEBI:40139; EN300-88063; 2R, 4R-APDC monohydrate; 52A; 4-amino-2,4-pyrrolidinedicarboxylic acid; AC1NSJRT; AC1Q4UAD; SCHEMBL158843; 2R, 4R-APDC; (2R,3R)-APDC; GTPL1392; CTK0E5090; DTXSID10415500; MolPort-003-982-102; BDBM50052398; ZINC32628523; SBB067830; MFCD16875409; AKOS015916056; AKOS015854214; RTC-065564; FCH3884669; NCGC00025040-02; LY314593; AJ-85443; SC-48823; TC-065564; B6634

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): 1

Molecular Weight (mw)

174.15

Logarithm of the Partition Coefficient (xlogp)

-6.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C6H10N2O4
IUPAC Name: (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
Canonical SMILES: C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O
InChI: InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1
InChIKey: XZFMJVJDSYRWDQ-AWFVSMACSA-N

Cross-matching ID

PubChem CID: 5310984
ChEBI ID: CHEBI:40139
CAS Number: 169209-63-6
TTD ID: D0EK6P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 2 (mGluR2)	TTXJ47W	GRM2_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 2 (mGluR2)	DTT	GRM2	1.09E-01	-0.11	-0.2
Metabotropic glutamate receptor 2 (mGluR2)	DTT	GRM2	3.19E-01	-0.06	-0.34

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Group II metabotropic glutamate receptors within the amygdala regulate fear as assessed with potentiated startle in rats. Behav Neurosci. 2002 Dec;116(6):1075-83.