Details of the Drug

General Information of Drug (ID: DMVJORE)

Drug Name
2-trityl-4,5-dihydrooxazole
Synonyms CHEMBL271167
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) 313.4
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C22H19NO
IUPAC Name
2-trityl-4,5-dihydro-1,3-oxazole
Canonical SMILES
C1COC(=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19NO/c1-4-10-18(11-5-1)22(21-23-16-17-24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKey
PHFOYYZFWZIUBU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24799664
ChEBI ID
CHEMBL271167
TTD ID
D0T5IP
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
Calcium-activated potassium channel (KCN) TTMNI76 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel inhibitors of the Gardos channel for the treatment of sickle cell disease. J Med Chem. 2008 Feb 28;51(4):976-82.