Details of the Drug

General Information of Drug (ID: DMW7XN5)

Drug Name

3-(1H-Indol-3-yl)-quinoline

Synonyms

3-(1H-indol-3-yl)quinoline; CHEMBL309116; 3-(1H-Indol-3-yl)-quinoline; 3-(3-Quinolyl)-1H-indole; SCHEMBL8171583; ZINC13737696; BDBM50039096

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)

244.29

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H12N2
IUPAC Name: 3-(1H-indol-3-yl)quinoline
Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C17H12N2/c1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h1-11,19H
InChIKey: BJQHKICYZOBROI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor alpha (PDGFRA)	TT8FYO9	PGFRA_HUMAN	Inhibitor	[1]
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_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
Platelet-derived growth factor receptor beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89

Molecular Expression Atlas (MEA)

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References

1	A new series of PDGF receptor tyrosine kinase inhibitors: 3-substituted quinoline derivatives. J Med Chem. 1994 Jul 8;37(14):2129-37.