Details of the Drug

General Information of Drug (ID: DMFACQU)

Drug Name
IMS
Synonyms INO-2002
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) 138.19
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H10O3S
IUPAC Name
propan-2-yl methanesulfonate
Canonical SMILES
CC(C)OS(=O)(=O)C
InChI
InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKey
SWWHCQCMVCPLEQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13551
CAS Number
926-06-7
TTD ID
D00CGU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inosine-5'-monophosphate dehydrogenase (IMPDH) TTCAQMW NOUNIPROTAC Modulator [2]
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 800019853)
2 The novel inosine analogue INO-2002 exerts an anti-inflammatory effect in a murine model of acute lung injury. Shock. 2009 Sep;32(3):258-62.