General Information of the Compound
Compound ID
CP0013755
Compound Name
3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol
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Synonyms
3-(4-(4-Morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol
3-(4-Morpholin-4-Ylpyrido[3',2':4,5]furo[3,2-D]pyrimidin-2-Yl)phenol
3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol
3-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol
371935-74-9
AK163162
CHEBI:90524
PI 103
PI-103
PI103
PIK-103
Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-
Phenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-
UNII-YQX02F616F
YQX02F616F
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Structure
Formula
C19H16N4O3
Molecular Weight
348.362
Canonical SMILES
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
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InChI
InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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InChIKey
TUVCWJQQGGETHL-UHFFFAOYSA-N
Physicochemical Property
logP
2.9802
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
84.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 9884685
SID: 26746641
ChEMBL ID
CHEMBL573339
DrugBank ID
DB17046
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 17.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 74 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 796.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
IC50 = 1034.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.76 nM
2 IC50 = 2 nM
3 IC50 = 3.22 nM
4 IC50 = 3.8 nM
5 IC50 = 3.9 nM
6 IC50 = 4 nM
7 IC50 = 4.4 nM
8 IC50 = 4.5 nM
9 IC50 = 5.8 nM
10 IC50 = 6 nM
11 IC50 = 6.1 nM
12 IC50 = 6.8 nM
13 IC50 = 7.5 nM
14 IC50 = 8 nM
15 IC50 = 8.7 nM
16 IC50 = 11 nM
17 IC50 = 12 nM
18 IC50 = 16.8 nM
19 IC50 = 17 nM
20 IC50 = 19.7 nM
21 IC50 = 75 nM
22 IC50 = 150 nM
23 IC50 = 5300 nM
24 Kd = 1.3 nM
25 Kd = 1.4 nM
26 Kd = 1.5 nM
27 Kd = 2.9 nM
28 Kd = 3 nM
29 Kd = 3.2 nM
30 Kd = 3.4 nM
Clinical Information about the Compound
Drug 1 ( PI-103 )
Drug Name PI-103
Indication
Haematological malignancy
Investigative
Target(s)
PI3-kinase gamma (PIK3CG)
 Target Info 
Inhibitor