General Information of the Compound
Compound ID
CP0453133
Compound Name
CHEBI:17859
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Synonyms
(C4-C6) Dibasic acids
1,3-Propanedicarboxylic acid
1,5-Pentanedioic acid
110-94-1
AI3-24247
BRN 1209725
CAS-110-94-1
CHEBI:17859
Carboxylic acids, C6-18 and C5-15-di-
Carboxylic acids, di-, C4-6
DSSTox_CID_1654
DSSTox_GSID_21654
DSSTox_RID_76266
EINECS 203-817-2
GLUTARATE
GLUTARIC ACID
Glutaric acid, 99%
Glutarsaeure
H849F7N00B
HSDB 5542
JFCQEDHGNNZCLN-UHFFFAOYSA-N
MFCD00004410
NSC 9238
NSC9238
Pentandioate
Pentandioic acid
Pentanedioic acid
UNII-H849F7N00B
glutarate
n-Pyrotartaric acid
propane-1,3-dicarboxylic acid
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Structure
Formula
C5H8O4
Molecular Weight
132.115
Canonical SMILES
OC(=O)CCCC(O)=O
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InChI
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
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InChIKey
JFCQEDHGNNZCLN-UHFFFAOYSA-N
CAS
68937-69-9
8065-59-6
110-94-1
68603-87-2
Physicochemical Property
logP
0.3259
Rotatable Bonds
4
Heavy Atom Count
9
Polar Areas
74.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
9

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 23322899
SID: 15213255
ChEMBL ID
CHEMBL1162495
DrugBank ID
DB03553
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04064, Solute carrier family 22 member 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 4900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Km = 10700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GLUTARATE )
Drug Name GLUTARATE
Target(s)
Solute carrier family 22 member 8 (SLC22A8)
 Target Info 
Inhibitor