Details of the Drug

General Information of Drug (ID: DMVDLT4)

Drug Name
CS-4771
Indication
Disease Entry ICD 11 Status REF
Sepsis 1G40-1G41 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 161.2
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H15NO3
IUPAC Name
3-hydroxy-4-(trimethylazaniumyl)butanoate
Canonical SMILES
C[N+](C)(C)CC(CC(=O)[O-])O
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
InChIKey
PHIQHXFUZVPYII-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
288
ChEBI ID
CHEMBL17126
CAS Number
406-76-8
TTD ID
D09LZA
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
Toll-like receptor 4 (TLR4) TTISGCA TLR4_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 Sepsis
ICD Disease Classification 1G40-1G41
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Toll-like receptor 4 (TLR4) DTT TLR4 5.26E-01 0.35 0.46
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 800032166)
2 Eritoran insight for influenza treatment. SciBX 6(19); doi:10.1038/scibx.2013.453. May 16 2013