Details of the Drug

General Information of Drug (ID: DMYIQRK)

Drug Name
RIPA-56
Synonyms
1956370-21-0; N-benzyl-N-hydroxy-2,2-dimethylbutanamide; CHEMBL4092421; GTPL9643; SCHEMBL17874088; EX-A4338; BDBM50229025; MFCD30738006; s6511; ZINC616570725; CS-6266; compound 92 [WO2016101885]; compound 56 [PMID: 27992216]; HY-101032; C(C1=CC=CC=C1)N(C(C(CC)(C)C)=O)O; A1-28956
Indication
Disease Entry ICD 11 Status REF
Non-alcoholic fatty liver disease DB92 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.29
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H19NO2
IUPAC Name
N-benzyl-N-hydroxy-2,2-dimethylbutanamide
Canonical SMILES
CCC(C)(C)C(=O)N(CC1=CC=CC=C1)O
InChI
InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
InChIKey
AVYVHIKSFXVDBG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
121439991
ChEBI ID
CHEMBL4092421
TTD ID
DF5C2I
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
Receptor-interacting protein 1 (RIPK1) TTAIQSN RIPK1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of receptor-interacting protein kinase 1 improves experimental non-alcoholic fatty liver disease. J Hepatol. 2020 Apr;72(4):627-635.