Details of the Drug

General Information of Drug (ID: DMW9I1X)

Drug Name
4-Fluoren-9-ylidenemethyl-pyridine
Synonyms
MLS002694154; 4-(9H-fluoren-9-ylidenemethyl)pyridine; 4-Fluoren-9-ylidenemethyl-pyridine; NSC83319; AC1L5UM6; NCIOpen2_004593; Oprea1_438447; Oprea1_732020; BDBM8644; CHEMBL383145; 9-(4-pyridylmethylene)fluorene; SCHEMBL8276094; CTK7D1435; (4-Pyridylmethylene)fluorene 34; HMS3088F22; 4-(fluoren-9-ylidenemethyl)pyridine; ZINC13283063; NSC-83319; AKOS000634958; Pyridine, 4-(fluoren-9-ylidenemethyl)-; 4-(9H-Fluorene-9-ylidenemethyl)pyridine; SMR001560085; BAS 00004846; SR-01000321373
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) 255.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H13N
IUPAC Name
4-(fluoren-9-ylidenemethyl)pyridine
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=NC=C4
InChI
InChI=1S/C19H13N/c1-3-7-17-15(5-1)16-6-2-4-8-18(16)19(17)13-14-9-11-20-12-10-14/h1-13H
InChIKey
YVNXZDHQCSSQMR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
256445
ChEBI ID
CHEMBL383145
TTD ID
D04IJE
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.