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

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.