General Information of the Compound
Compound ID
CP0047264
Compound Name
2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide
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Synonyms
1xk9
2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide
2662AH
344458-19-1
AC1L1J45
AKOS030229047
Acetamide, N-(5,6-dihydro-6-oxo-2-phenanthridinyl)-2-(dimethylamino)-
BC600341
BCP07990
BDBM27497
CHEMBL372303
CS-1463
CTK1B7701
DA-42692
DB08348
HMS3651B06
HY-13688A
Ibrutinib (PCI32765 pound(c)
MolPort-035-395-737
NCGC00370866-10
N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
P34
PJ34
PJ34(free base)
SB19292
SCHEMBL422317
UYJZZVDLGDDTCL-UHFFFAOYSA-N
ZINC8960
pj-34
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Structure
Formula
C17H17N3O2
Molecular Weight
295.342
Canonical SMILES
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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InChIKey
UYJZZVDLGDDTCL-UHFFFAOYSA-N
Physicochemical Property
logP
2.1814
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 4858
SID: 14898161
ChEMBL ID
CHEMBL372303
DrugBank ID
DB08348
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: PT00839, Poly [ADP-ribose] polymerase 1
 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
IC50 = 9.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 20 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 20 nM
2 IC50 = 20 nM
3 IC50 = 110 nM
4 IC50 = 170.2 nM
5 Kd = 110 nM
Protein ID: PT01328, Poly [ADP-ribose] polymerase 2
 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
IC50 = 14.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PJ34 )
Drug Name PJ34
Indication
Coronavirus infection
Preclinical
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
 Target Info 
Inhibitor