Details of the Drug

General Information of Drug (ID: DMU53NZ)

Drug Name

3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine

Synonyms

CHEMBL1231606; 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine; 3c4f; SCHEMBL857805; BDBM50065455; DB07525; 3-(3-Methoxybenzyl)-7-aza-1H-indole; 3-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

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)

238.28

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H14N2O
IUPAC Name: 3-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
Canonical SMILES: COC1=CC=CC(=C1)CC2=CNC3=C2C=CC=N3
InChI: InChI=1S/C15H14N2O/c1-18-13-5-2-4-11(9-13)8-12-10-17-15-14(12)6-3-7-16-15/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKey: GHQCCHWTDLTMJT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24180722
DrugBank ID: DB07525
TTD ID: D06QUJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fibroblast growth factor receptor 1 (FGFR1)	TTRLW2X	FGFR1_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
Fibroblast growth factor receptor 1 (FGFR1)	DTT	FGFR1	4.79E-02	-0.03	-0.15

Molecular Expression Atlas (MEA)

MEA Detail

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References

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