Details of the Drug

General Information of Drug (ID: DMPUFDS)

Drug Name

GLUTARATE

Synonyms

GLUTARIC ACID; Pentanedioic acid; 110-94-1; 1,5-Pentanedioic acid; 1,3-Propanedicarboxylic acid; Pentandioic acid; glutarate; n-Pyrotartaric acid; UNII-H849F7N00B; propane-1,3-dicarboxylic acid; Carboxylic acids, di-, C4-6; HSDB 5542; Glutaric acid, 99%; Carboxylic acids, C6-18 and C5-15-di-; NSC 9238; EINECS 203-817-2; (C4-C6) Dibasic acids; BRN 1209725; AI3-24247; CHEBI:17859; NSC9238; JFCQEDHGNNZCLN-UHFFFAOYSA-N; H849F7N00B; MFCD00004410; DSSTox_CID_1654; DSSTox_RID_76266; DSSTox_GSID_21654; CAS-110-94-1; Pentandioate; Glutarsaeure

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

132.11

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C5H8O4
IUPAC Name: pentanedioic acid
Canonical SMILES: C(CC(=O)O)CC(=O)O
InChI: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey: JFCQEDHGNNZCLN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 743
ChEBI ID: CHEBI:17859
CAS Number: 110-94-1
DrugBank ID: DB03553
TTD ID: D04XDS
VARIDT ID: DR00083

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]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporter 1 (SLC22A6)	DTQ23VB	S22A6_HUMAN	Substrate	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Organic anion transporter 3 (SLC22A8)	OT8BY933	S22A8_HUMAN	Gene/Protein Processing	[3]
Solute carrier family 22 member 6 (SLC22A6)	OTKRCBVM	S22A6_HUMAN	Regulation of Drug Effects	[4]
Solute carrier family 22 member 7 (SLC22A7)	OTKTNH1W	S22A7_HUMAN	Regulation of Drug Effects	[5]

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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.
2	Fluorescence-based assay for the interaction of small molecules with the human renal organic anion transporter 1. Anal Biochem. 2000 Jul 15;283(1):49-55.
3	Inhibition of organic anion transporter (OAT) activity by cigarette smoke condensate. Toxicol In Vitro. 2017 Oct;44:27-35.
4	The chloride dependence of the human organic anion transporter 1 (hOAT1) is blunted by mutation of a single amino acid. J Biol Chem. 2007 May 4;282(18):13402-9. doi: 10.1074/jbc.M609849200. Epub 2007 Mar 12.
5	Transport mechanism and substrate specificity of human organic anion transporter 2 (hOat2 [SLC22A7]). J Pharm Pharmacol. 2005 May;57(5):573-8.