General Information of the Compound
Compound ID
CP0022970
Compound Name
2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one
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Synonyms
168425-64-7
2-(4-MORPHOLINYL)-4H-PYRIMIDO[2,1-A]ISOQUINOLIN-4-ONE
2-(morpholin-4-yl)pyrimido[2,1-a]isoquinolin-4-one
2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one
2-morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one
AKOS016369524
B7337
BCP04303
BDBM50159620
CHEMBL179242
CS-5624
CTK4D2994
Compound 401
Compound401
DTXSID20434626
EX-A1016
HMS3229D15
HY-19341
J-010456
KB-224235
KS-00001DEG
M2537
MolPort-023-276-726
NCGC00378805-02
S-7713
SCHEMBL10092321
ZINC13608047
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Structure
Formula
C16H15N3O2
Molecular Weight
281.315
Canonical SMILES
O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
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InChI
InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
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InChIKey
BVRDQVRQVGRNHG-UHFFFAOYSA-N
Physicochemical Property
logP
1.6843
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 10039361
SID: 15022055
ChEMBL ID
CHEMBL179242
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: 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 = 280 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 280 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 = 5300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5300 nM
Clinical Information about the Compound
Drug 1 ( 2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one )
Drug Name 2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor
Serine/threonine-protein kinase mTOR (mTOR)
Inhibitor