General Information of the Compound
Compound ID
CP0002420
Compound Name
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
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Synonyms
154447-36-6
15447-36-6
2-(4-Morpholino)-8-phenyl-4H-1-benzopyran-4-one
2-(4-Morpholinyl)-8-Phenyl-4h-1-Benzopyran-4-One
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one
2-(morpholin-4-yl)-8-phenylchromen-4-one
2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
2-morpholin-4-yl-8-phenyl-4H-chromen-4-one
2-morpholin-4-yl-8-phenylchromen-4-one
2-morpholino-8-phenyl-4H-chromen-4-one
2-morpholino-8-phenyl-chromen-4-one
31M2U1DVID
4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl
4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-
4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-(9CI)
8-Phenyl-2-(morpholin-4-yl)-chromen-4-one
AK162301
BMK1-D5
CHEBI:65329
CHEMBL98350
H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-(9CI)
IN1266
IN1268
LY 294002
LY-294,002
LY-294002
LY2
LY294002
Lys 294002
UNII-31M2U1DVID
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Structure
Formula
C19H17NO3
Molecular Weight
307.349
Canonical SMILES
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
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InChI
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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InChIKey
CZQHHVNHHHRRDU-UHFFFAOYSA-N
CAS
154447-36-6
Physicochemical Property
logP
3.2966
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 3973
SID: 14800773
ChEMBL ID
CHEMBL98350
DrugBank ID
DB02656
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: PT01002, Cytochrome P450 1A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 300 nM
2 IC50 = 1200 nM
3 IC50 = 1300 nM
4 IC50 = 1400 nM
5 IC50 = 1470 nM
6 IC50 = 1600 nM
7 Ki = 6000 nM
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000102 U-87MG ATCC Homo sapiens (Human)  1
1
IC50 = 8100 nM
   TI
   LI
   LO
   TS
Protein ID: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 550 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 6000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 200 nM
2 IC50 = 300 nM
3 IC50 = 356 nM
4 IC50 = 480 nM
5 IC50 = 481 nM
6 IC50 = 500 nM
7 IC50 = 550 nM
8 IC50 = 600 nM
9 IC50 = 630 nM
10 IC50 = 720 nM
11 IC50 = 730 nM
12 IC50 = 2300 nM
13 IC50 = 4000 nM
14 IC50 = 6180 nM
15 IC50 = 62800 nM
Protein ID: PT01368, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 630 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 630 nM
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 340 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 900 nM
   TI
   LI
   LO
   TS
2
IC50 = 970 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 270 nM
2 IC50 = 306 nM
3 IC50 = 310 nM
4 IC50 = 340 nM
5 IC50 = 736 nM
6 IC50 = 900 nM
7 IC50 = 970 nM
8 IC50 = 980 nM
9 IC50 = 983 nM
10 IC50 = 3000 nM
11 IC50 = 13100 nM
12 IC50 = 16000 nM
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 220 nM
2 IC50 = 570 nM
3 IC50 = 950 nM
4 IC50 = 1050 nM
5 IC50 = 1330 nM
6 IC50 = 1360 nM
7 IC50 = 1362 nM
8 IC50 = 1600 nM
9 IC50 = 3223 nM
10 IC50 = 14900 nM
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 940 nM
2 IC50 = 947 nM
3 IC50 = 950 nM
4 IC50 = 1200 nM
5 IC50 = 1500 nM
6 IC50 = 1600 nM
7 IC50 = 1720 nM
8 IC50 = 1775 nM
9 IC50 = 3020 nM
10 IC50 = 6600 nM
11 IC50 = 7200 nM
12 IC50 = 7260 nM
13 IC50 = 12000 nM
Protein ID: PT02170, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2100 nM
2 IC50 = 10400 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 4645.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1060 nM
2 IC50 = 2500 nM
3 IC50 = 2800 nM
4 IC50 = 3018 nM
5 IC50 = 3900 nM
6 IC50 = 5000 nM
7 IC50 = 6796 nM
8 IC50 = 9900 nM
9 IC50 > 10000 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 = 8400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LY294002 )
Drug Name LY294002
Company Genentech
Indication
Neuroblastoma
Phase 1
Target(s)
PI3-kinase gamma (PIK3CG)
Inhibitor