Details of the Drug

General Information of Drug (ID: DMT3H2X)

Drug Name

4-hydroxy-5-phenylthieno[2,3-b]pyridin-6(7H)-one

Synonyms

CHEMBL414672; 4-hydroxy-5-phenyl-Thieno[2,3-b]pyridin-6(7H)-one; 179337-87-2; SCHEMBL1077245; SCHEMBL16776799; CTK7H0273; ZINC13679983; AKOS015965514; DA-09113; 4-Hydroxy-5-phenyl-7H-thieno[2,3-b]; FT-0762488

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)

243.28

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9NO2S
IUPAC Name: 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=C(NC2=O)SC=C3)O
InChI: InChI=1S/C13H9NO2S/c15-11-9-6-7-17-13(9)14-12(16)10(11)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16)
InChIKey: LLZJLIULTBEDHM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 54688796
TTD ID: D0Q8NW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor. J Med Chem. 2006 Feb 9;49(3):864-71.