Details of the Drug

General Information of Drug (ID: DMM1N5C)

Drug Name

VGX-1027

Synonyms

VGX-1027; 6501-72-0; GIT 27; git-27; 2-(3-phenyl-4,5-dihydroisoxazol-5-yl)acetic acid; 4,5-DIHYDRO-3-PHENYL-5-ISOXAZOLEACETIC ACID; 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic Acid; GIT27; SCHEMBL1404343; CHEMBL1320667; CTK5C2027; VGX-127; EX-A366; DTXSID50445023; AOB1858; MUFJHYRCIHHATF-UHFFFAOYSA-N; MolPort-022-917-316; HMS3653J11; BCP09284; VGX 1027; VGX-1027(GIT 27); MFCD08696167; s7515; 2792AH; GIT-27 (VGX-1027); AKOS022538967; AKOS000282755; CS-2737; NCGC00186000-02; NCGC00186000-01; AK175225; HY-15507; AB0279943; KB-272590

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

205.21

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H11NO3
IUPAC Name: 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
Canonical SMILES: C1C(ON=C1C2=CC=CC=C2)CC(=O)O
InChI: InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKey: MUFJHYRCIHHATF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10798271
CAS Number: 6501-72-0
TTD ID: D03QEB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
NF-kappa-B-p38 signaling pathway (NFKB-p38 pathway)	TTXT2VN	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Effects of the immunomodulator, VGX-1027, in endotoxin-induced uveitis in Lewis rats. Br J Pharmacol. 2008 Nov;155(5):722-30.