Details of the Drug

General Information of Drug (ID: DMNYQGS)

Drug Name

5''-Quinolin-4-yl-[2,4'']bithiazolyl-2''-ylamine

Synonyms

CHEMBL362710; BDBM50151351; 5''-(quinolin-4-yl)-2,4''-bithiazol-2''-amine

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)

310.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C15H10N4S2
IUPAC Name: 5-quinolin-4-yl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=C(N=C(S3)N)C4=NC=CS4
InChI: InChI=1S/C15H10N4S2/c16-15-19-12(14-18-7-8-20-14)13(21-15)10-5-6-17-11-4-2-1-3-9(10)11/h1-8H,(H2,16,19)
InChIKey: JHZIIPPDVRVCNU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TGF-beta receptor type I (TGFBR1)	TTP4520	TGFR1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
TGF-beta receptor type I (TGFBR1)	DTT	TGFBR1	2.62E-01	0.27	1.01

Molecular Expression Atlas (MEA)

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References

1	Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors. J Med Chem. 2004 Aug 26;47(18):4494-506.