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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.