Details of the Drug

General Information of Drug (ID: DMJD479)

Drug Name

THPO

Synonyms

THPO; 53602-00-9; 4,5,6,7-Tetrahydroisoxazolo(4,5-c)pyridin-3-ol; 4,5,6,7-Tetrahydroisoxazolo[4,5-c]pyridin-3-ol; CHEMBL150830; Isoxazolo(4,5-d)pyridin-3(2H)-one, 4,5,6,7-tetrahydro-; 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3(2H)-one; AC1Q6C1M; SCHEMBL455554; GTPL4727; AC1L1C13; isoxazolo[4,5-c]pyridin-3-ol, 4,5,6,7-tetrahydro-; CTK4J8459; DTXSID90201822; SXXLKZCNJHJYFL-UHFFFAOYSA-N; FCH907083; BDBM50226145; ZINC13803345; AKOS022718554; AKOS006371191; API0009745; DA-05117; LS-183574; FT-0754243

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)

140.14

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C6H8N2O2
IUPAC Name: 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one
Canonical SMILES: C1CNCC2=C1ONC2=O
InChI: InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChIKey: SXXLKZCNJHJYFL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1695
CAS Number: 53602-00-9
TTD ID: D0M4FW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid uptake (GABAU)	TTV9MQG	NOUNIPROTAC	Inhibitor	[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: 4727).
2	Anticonvulsant activity of intracerebroventricularly administered glial GABA uptake inhibitors and other GABAmimetics in chemical seizure models. Epilepsy Res. 1989 Jul-Aug;4(1):34-41.