Details of the Drug

General Information of Drug (ID: DM2XI09)

Drug Name

ADIPATE

Synonyms

adipic acid; hexanedioic acid; 124-04-9; Adipinic acid; 1,4-Butanedicarboxylic acid; Adilactetten; Acifloctin; Acinetten; 1,6-Hexanedioic acid; Molten adipic acid; Kyselina adipova; Adipinsaure [German]; Acide adipique [French]; Kyselina adipova [Czech]; Hexanedioate; Adipinsaeure; FEMA Number 2011; Adi-pure; UNII-76A0JE0FKJ; NSC 7622; CCRIS 812; Adipic acid [NF]; FEMA No. 2011; HSDB 188; Adipic acid, 99%; Hexan-1,6-dicarboxylate; EINECS 204-673-3; BRN 1209788; 76A0JE0FKJ; AI3-03700; 1,6-HEXANE-DIOIC ACID; CHEBI:30832; NSC7622

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)

144.12

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H8O4-2
IUPAC Name: hexanedioate
Canonical SMILES: C(CCC(=O)[O-])CC(=O)[O-]
InChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-L

Cross-matching ID

PubChem CID: 200164
ChEBI ID: CHEBI:17128
CAS Number: 764-65-8
UNII: U3YC62H084
DrugBank ID: DB16084
TTD ID: D05KFG
VARIDT ID: DR00538

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)

MIA Detail

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.