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
CHEBI:32362
CAS Number
7563-37-3
TTD ID
D0L7UB

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.