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]
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

References

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