Details of the Drug

General Information of Drug (ID: DMHO7TZ)

Drug Name

6-Methoxy-5-oxazol-5-yl-2-phenyl-1H-indole

Synonyms

CHEMBL23590; 569352-88-1; 6-Methoxy-5-oxazol-5-yl-2-phenyl-1H-indole; SCHEMBL5832036; CTK1F3437; DTXSID60623678; BDBM50126004; 2-Phenyl-5-(5-oxazolyl)-6-methoxy-1H-indole; 1H-Indole, 6-methoxy-5-(5-oxazolyl)-2-phenyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

290.3

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H14N2O2
IUPAC Name: 5-(6-methoxy-2-phenyl-1H-indol-5-yl)-1,3-oxazole
Canonical SMILES: COC1=C(C=C2C=C(NC2=C1)C3=CC=CC=C3)C4=CN=CO4
InChI: InChI=1S/C18H14N2O2/c1-21-17-9-16-13(7-14(17)18-10-19-11-22-18)8-15(20-16)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKey: BESGGLGAKGKEOC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 22238483
CAS Number: 569352-88-1
TTD ID: D0A0UW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel indole-based inhibitors of IMPDH: introduction of hydrogen bond acceptors at indole C-3. Bioorg Med Chem Lett. 2003 Apr 7;13(7):1273-6.