Details of the Drug

General Information of Drug (ID: DM4TE8R)

Drug Name
IX207-887
Indication
Disease Entry ICD 11 Status REF
Rheumatoid arthritis FA20 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.3
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H12O3S
IUPAC Name
(2Z)-2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid
Canonical SMILES
COC1=CC2=CC=CC=C2/C(=C/C(=O)O)/C3=C1SC=C3
InChI
InChI=1S/C16H12O3S/c1-19-14-8-10-4-2-3-5-11(10)13(9-15(17)18)12-6-7-20-16(12)14/h2-9H,1H3,(H,17,18)/b13-9-
InChIKey
XIKRQPKFOKKGGW-LCYFTJDESA-N
Cross-matching ID
PubChem CID
6509858
TTD ID
D0X2PQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Interleukin-1 alpha (IL1A) TTPM6HI IL1A_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Rheumatoid arthritis
ICD Disease Classification FA20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Interleukin-1 alpha (IL1A) DTT IL1A 7.52E-01 1.41E-02 0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800002363)
2 Inhibition of interleukin-1 release by IX 207-887. Agents Actions. 1990 Jun;30(3-4):350-62.