Details of the Drug

General Information of Drug (ID: DM9HG1Y)

Drug Name

DCG IV

Synonyms

Dcg-IV; DCG IV; 147782-19-2; CHEMBL284193; (1r,2r)-3-[(S)-Amino(Carboxy)methyl]cyclopropane-1,2-Dicarboxylic Acid; (1R,2R)-3-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1,2-dicarboxylic acid; DCGIV; AC1NSJRH; (2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine; SCHEMBL658075; GTPL1377; 1,2-Cyclopropanedicarboxylicacid, 3-[(S)-aminocarboxymethyl]-, (1R,2R)-; CTK0H7426; MATPZHBYOVDBLI-JJYYJPOSSA-N; ZINC3995770; BDBM50034503; AKOS030230932; API0015797; B5039; CS-0021174; (2S,2''R,3''R)-2-(2'',3'')-dicarboxycyclopropylglycine

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)

203.15

Logarithm of the Partition Coefficient (xlogp)

-4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C7H9NO6
IUPAC Name: (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
Canonical SMILES: [C@@H]1([C@@H](C1[C@@H](C(=O)O)N)C(=O)O)C(=O)O
InChI: InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
InChIKey: MATPZHBYOVDBLI-JJYYJPOSSA-N

Cross-matching ID

PubChem CID: 5310979
CAS Number: 147782-19-2
TTD ID: D0Y1WV

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	[2]

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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	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: 1377).
2	Attenuation of seizures induced by homocysteic acid in immature rats by metabotropic glutamate group II and group III receptor agonists. Brain Res. 2001 Jul 27;908(2):120-9.