Details of the Drug

General Information of Drug (ID: DMGWRID)

Drug Name

2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole

Synonyms

CHEMBL281635; 2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole; SCHEMBL5831606; BDBM50126015

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)

304.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H16N2O2
IUPAC Name: 5-(2-benzyl-6-methoxy-1H-indol-5-yl)-1,3-oxazole
Canonical SMILES: COC1=C(C=C2C=C(NC2=C1)CC3=CC=CC=C3)C4=CN=CO4
InChI: InChI=1S/C19H16N2O2/c1-22-18-10-17-14(9-16(18)19-11-20-12-23-19)8-15(21-17)7-13-5-3-2-4-6-13/h2-6,8-12,21H,7H2,1H3
InChIKey: HWRLJNBXLQMWKB-UHFFFAOYSA-N

Cross-matching ID

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)

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.