Details of the Drug

General Information of Drug (ID: DME230I)

Drug Name

6-phenyl-thieno[3,2-d]pyrimidin-4-ylamine

Synonyms

6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine; CHEMBL311108; CTK7E1320; ZINC13588156; BDBM50137196; AKOS015965750; 6-phenylthieno[3,2-d]pyrimidin-4-ylamine

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)

227.29

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H9N3S
IUPAC Name: 6-phenylthieno[3,2-d]pyrimidin-4-amine
Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)N
InChI: InChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
InChIKey: WQVHTLKGGYMXIO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11499583
TTD ID: D09PLJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	TTJ3E9X	IKKB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	DTT	IKBKB	5.74E-08	0.26	0.88

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem. 2006 May 18;49(10):2898-908.