Details of the Drug

General Information of Drug (ID: DM06AV8)

Drug Name

4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine

Synonyms

CHEMBL359724; 4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine; BDBM50151364

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)

304.4

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H12N4S
IUPAC Name: 4-pyridin-3-yl-5-quinolin-4-yl-1,3-thiazol-2-amine
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=C(N=C(S3)N)C4=CN=CC=C4
InChI: InChI=1S/C17H12N4S/c18-17-21-15(11-4-3-8-19-10-11)16(22-17)13-7-9-20-14-6-2-1-5-12(13)14/h1-10H,(H2,18,21)
InChIKey: SSOAVUCQSQRZGQ-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.