General Information of the Compound
Compound ID
CP0272891
Compound Name
1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea
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Synonyms
1-(2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2-methylquinolin-4-yl)urea
1-(2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl-3-(2-methylquinolin-4-yl)urea
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea
540769-28-6
ACT 058362
ACT-058362
ACT058362 (Palosuran)
AKOS026750332
BCP15786
BDBM50302272
CHEMBL567303
CS-1722
DTXSID00202406
GTPL3516
NCGC00408890-01
PALOSURAN
Palosuran
Palosuran [INN]
SCHEMBL1363480
ULD9ZKE457
UNII-ULD9ZKE457
WYJCYXOCHXWTHG-UHFFFAOYSA-N
ZINC34375693
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Structure
Formula
C25H30N4O2
Molecular Weight
418.541
Canonical SMILES
Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
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InChI
InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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InChIKey
WYJCYXOCHXWTHG-UHFFFAOYSA-N
CAS
540769-28-6
Physicochemical Property
logP
3.73432
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
77.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 10173280
SID: 15167346
ChEMBL ID
CHEMBL567303
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: PT02463, Urotensin-2 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 < 5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 39 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000397 RMS13
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 320 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 41 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03174, Urotensin-2 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 > 75000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PALOSURAN )
Drug Name PALOSURAN
Indication
Renal failure
Discontinued in Phase 2
Target(s)
Urotensin II receptor (UTS2R)
 Target Info 
Inhibitor