Details of the Drug

General Information of Drug (ID: DMUL2FW)

Drug Name

Thieno[2,3-B]Pyridine-2-Carboxamidine

Synonyms

thieno[2,3-b]pyridine-2-carboxamidine; amino(thieno[2,3-b]pyridin-2-yl)methaniminium; [amino(thieno[2,3-b]pyridin-2-yl)methylidene]azanium; AC1L1KCT; BDBM14171; CTK7D1810; APC-7538

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)

178.24

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H8N3S+
IUPAC Name: [amino(thieno[2,3-b]pyridin-2-yl)methylidene]azanium
Canonical SMILES: C1=CC2=C(N=C1)SC(=C2)C(=[NH2+])N
InChI: InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
InChIKey: GZEJMYFXZMUAEC-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 5438
DrugBank ID: DB03876
TTD ID: D0B1AK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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
Urokinase-type plasminogen activator (PLAU)	DTT	PLAU	5.32E-70	1.07	1.82

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.