Details of the Drug

General Information of Drug (ID: DMADSUY)

Drug Name
4-Oxosebacic Acid
Synonyms 4-OXOSEBACIC ACID; Decanedioic acid, 4-oxo-; 3-Oxo-1,8-octanedicarboxylic acid; AC1L1C60; SCHEMBL1053787; CTK7G1425; XTQIBFVBYWIHIP-UHFFFAOYSA-N; ZINC3074811; AKOS024339724; DB02260; MCULE-8689766454
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 216.23
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H16O5
IUPAC Name
4-oxodecanedioic acid
Canonical SMILES
C(CCC(=O)CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
InChIKey
XTQIBFVBYWIHIP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1755
DrugBank ID
DB02260
TTD ID
D0VG6L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Delta-aminolevulinic acid dehydratase (ALAD) TTJHKYD HEM2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.