Details of the Drug

General Information of Drug (ID: DMON7RZ)

Drug Name
8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
Synonyms CHEMBL339083; 8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline; BDBM50092630
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): 1 Molecular Weight (mw) 337.4
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H15N5
IUPAC Name
8-(3-azidophenyl)-6-(pyridin-4-ylmethyl)quinoline
Canonical SMILES
C1=CC(=CC(=C1)N=[N+]=[N-])C2=C3C(=CC(=C2)CC4=CC=NC=C4)C=CC=N3
InChI
InChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2
InChIKey
SJSUBWZFLWXJFL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10404815
TTD ID
D0Z5SB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4A (PDE4A) TTZ97H5 PDE4A_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
Phosphodiesterase 4A (PDE4A) DTT PDE4A 9.26E-01 -3.01E-03 -0.01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Hunting the emesis and efficacy targets of PDE4 inhibitors: identification of the photoaffinity probe 8-(3-azidophenyl)-6- [(4-iodo-1H-1-imidazolyl... J Med Chem. 2000 Oct 19;43(21):3820-3.