Details of the Drug

General Information of Drug (ID: DM5FA74)

Drug Name
5-[5-Methoxy-indan-(1E)-ylidenemethyl]-thiazole
Synonyms (5-Thiazolemethylene)indane 27a; BDBM8632; CHEMBL192155; AC1O706R; 5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
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) 243.33
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H13NOS
IUPAC Name
5-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
Canonical SMILES
COC1=CC2=C(C=C1)/C(=C/C3=CN=CS3)/CC2
InChI
InChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7+
InChIKey
YBVSJXCRZPLUNH-YRNVUSSQSA-N
Cross-matching ID
PubChem CID
6539806
ChEBI ID
CHEMBL192155
TTD ID
D0C8EO
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA 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.