General Information of the Compound
Compound ID
CP0377456
Compound Name
(S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE
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Synonyms
UBP-310
(S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE
(S)-1-(2-Amino-2-carboxyethyl)-3(2-carboxythiophene-3-YL-methyl)-5-methylpyrimidine-2,4-dione
2f34
3-[[3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]thiophene-2-carboxylic acid
AC1O4WKX
AKOS024457719
BDBM50207593
CHEMBL373428
GTPL4092
GTPL4334
MolPort-006-069-045
NCGC00370889-01
SCHEMBL15959446
UBA
UBP 310
UBP-310
UBP310
ZINC16052001
ZTAZUCRXCRXNSU-VIFPVBQESA-N
[3H]UBP310
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Structure
Formula
C14H15N3O6S
Molecular Weight
353.356
Canonical SMILES
Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2ccsc2C(O)=O)c1=O
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InChI
InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
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InChIKey
ZTAZUCRXCRXNSU-VIFPVBQESA-N
Physicochemical Property
logP
-0.46168
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
144.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 6420160
SID: 24773827
ChEMBL ID
CHEMBL373428
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: PT02970, Glutamate receptor ionotropic, kainate 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( UBP310 )
Drug Name UBP310
Target(s)
Glutamate receptor ionotropic kainate 3 (GluK3)
 Target Info 
Antagonist
Glutamate receptor ionotropic kainate 1 (GRIK1)
 Target Info 
Antagonist