Details of the Drug

General Information of Drug (ID: DMGEO8N)

Drug Name
HEPTANOATE
Synonyms
Heptanoate; enanthate; Heptanoic acid, ion(1-); oenanthate; oenanthylate; heptoate; enanthylate; n-heptylate; n-heptanoate; n-heptoate; heptylate; 1-hexanecarboxylate; 7563-37-3; CH3-[CH2]5-COO(-); EINECS 231-459-7; AC1L3PEG; AC1Q2VSF; AC1Q22DU; CTK5E1803; CHEBI:32362; MNWFXJYAOYHMED-UHFFFAOYSA-M; STL483842; BDBM50240408; AKOS024438002; CJ-25028; 9187-EP2316836A1; 9187-EP2316835A1; 9187-EP2316834A1; 9187-EP2298734A2; 9187-EP2295437A1; 9187-EP2295426A1; 9187-EP2295413A1; 9187-EP2292614A1; 9187-EP2292227A2; 9187-EP2275412A1; 9187-EP2270004A1
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) 129.18
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H13O2-
IUPAC Name
heptanoate
Canonical SMILES
CCCCCCC(=O)[O-]
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
InChIKey
MNWFXJYAOYHMED-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
93052
ChEBI ID
CHEMBL32362
CAS Number
7563-37-3
TTD ID
D0L7UB
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
Solute carrier family 22 member 8 (SLC22A8) TTTQR47 S22A8_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members. J Biol Chem. 2007 Aug 17;282(33):23841-53.