General Information of the Compound
Compound ID
CP0154046
Compound Name
5-[3-(1-methylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
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Synonyms
2H-Pyrano(2,3-d)pyrimidine-2,4,7(1H,3h)-trione, 5-(3-(1-methylcyclopropyl)propyl)-
5-(3-(1-Methylcyclopropyl)propyl)-1H-pyrano(2,3-d)pyrimidine-2,4,7(3H)-trione
915210-50-3
BDBM50384612
CHEMBL2036958
DB12433
DTXSID00238609
G2283XQ6VJ
GTPL8469
SB17408
SCH 900271
SCH-900271
SCH900271
SCHEMBL12602910
UNII-G2283XQ6VJ
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Structure
Formula
C14H16N2O4
Molecular Weight
276.292
Canonical SMILES
CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
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InChI
InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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InChIKey
ARJKMWXLIHZLQZ-UHFFFAOYSA-N
CAS
915210-50-3
Physicochemical Property
logP
1.2924
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
95.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 56950369
SID: 135657169
ChEMBL ID
CHEMBL2036958
DrugBank ID
DB12433
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SCH-900271 )
Drug Name SCH-900271
Company Merck
Indication
Ischemic stroke
Phase 2
Target(s)
Nicotinic acid receptor (HCAR2)
Modulator