Details of the Drug

General Information of Drug (ID: DMB5TL9)

Drug Name
Orazipone
Synonyms OR-1384
Indication
Disease Entry ICD 11 Status REF
Inflammatory bowel disease DD72 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.31
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H14O4S
IUPAC Name
3-[(4-methylsulfonylphenyl)methylidene]pentane-2,4-dione
Canonical SMILES
CC(=O)C(=CC1=CC=C(C=C1)S(=O)(=O)C)C(=O)C
InChI
InChI=1S/C13H14O4S/c1-9(14)13(10(2)15)8-11-4-6-12(7-5-11)18(3,16)17/h4-8H,1-3H3
InChIKey
CAWYWWPWSAMGBV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
178387
CAS Number
137109-78-5
TTD ID
D0W2SO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein thiol group (PTG) TTNSUK0 NOUNIPROTAC Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800009731)
2 Antieosinophilic activity of orazipone. Mol Pharmacol. 2006 Jun;69(6):1861-70.
3 Novel sulfhydryl-reactive compounds orazipone and OR-1958 inhibit cytokine production and histamine release in rat and human mast cells. Int Immunopharmacol. 2005 Jan;5(1):177-84. doi: 10.1016/j.intimp.2004.07.020.