Details of the Drug

General Information of Drug (ID: DMLEZKJ)

Drug Name

(2-Amino-4,5-dihydro-thiazol-4-yl)-acetic acid

Synonyms

CHEMBL79325; 2-(2-Amino-2-thiazolin-4-yl)acetic acid; AC1NQ6SQ; SCHEMBL2711624; 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic Acid; ANCWBXJZUCHVHL-UHFFFAOYSA-N

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)

160.2

Logarithm of the Partition Coefficient (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C5H8N2O2S
IUPAC Name: 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid
Canonical SMILES: C1C(N=C(S1)N)CC(=O)O
InChI: InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)
InChIKey: ANCWBXJZUCHVHL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5216267
TTD ID: D02ANG

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	( )-2-amino-2-thiazoline-4-ethanoic acid; a novel, specific GABAA receptor agonist. Bioorg. Med. Chem. Lett. 1(5):247-248 (1991).