Details of the Drug

General Information of Drug (ID: DM0BHCJ)

Drug Name

Pyrrolidin-3-yl-acetic acid

Synonyms

89203-64-5; 2-(pyrrolidin-3-yl)acetic acid; 3-PYRROLIDINEACETIC ACID; 3-Pyrrolidineaceticacid; Pyrrolidin-3-yl-acetic acid; 2-pyrrolidin-3-ylacetic Acid; pyrrolidin-3-ylacetic acid; CHEMBL351355; 2-(Pyrrolidin-3yl)acetic acid; Homo-beta-proline; ACMC-20liyx; ACMC-20mq1s; pyrrolidine-3-acetic acid; AC1N49FZ; SCHEMBL374930; CTK3E7957; OUENRUZPZZFMCA-UHFFFAOYSA-N; MolPort-001-729-044; KS-000003FH; BDBM50013224; 3-pyrrolidineacetic acid, AldrichCPR; 3-pyrrolidineacetic acid hydrochloride; AKOS005264421; MCULE-3887627276; RP19856

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)

129.16

Logarithm of the Partition Coefficient (xlogp)

-2.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C6H11NO2
IUPAC Name: 2-pyrrolidin-3-ylacetic acid
Canonical SMILES: C1CNCC1CC(=O)O
InChI: InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKey: OUENRUZPZZFMCA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4125298
TTD ID: D0D2NV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Orally active and potent inhibitors of gamma-aminobutyric acid uptake. J Med Chem. 1985 May;28(5):653-60.