General Information of the Compound
Compound ID
CP0127979
Compound Name
1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
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Synonyms
1-(Isoquinolin-6-yl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl] urea
1-(isoquinolin-6-yl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
1-Isoquinolin-6-Yl-3-[2-Oxo-2-(Pyrrolidin-1-Yl)ethyl]urea
1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
1687736-54-4
ACN-053041
AK546586
AKOS025142099
AOB5757
AS-16917
BCP16746
CS-5370
EX-A1304
FT-0700238
GTPL8552
HY-19715
J-690235
KS-00000THM
MolPort-039-101-300
NCGC00384204-04
SGC 707
SGC-707
SGC707
SGC707, &gt
ZINC220951188
s7832
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Structure
Formula
C16H18N4O2
Molecular Weight
298.346
Canonical SMILES
O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1
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InChI
InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
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InChIKey
DMIDPTCQPIJYFE-UHFFFAOYSA-N
Physicochemical Property
logP
1.9787
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
74.33
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: 90642938
ChEMBL ID
CHEMBL4072005
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: PT02189, Protein arginine N-methyltransferase 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 1800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 91 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 225 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000068 A-549
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 2000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19 nM
2 Kd = 53 nM
3 Kd = 85 nM
Clinical Information about the Compound
Drug 1 ( SGC707 )
Drug Name SGC707
Target(s)
Protein arginine methyltransferase 3 (PRMT3)
 Target Info 
Modulator (allosteric modulator)