General Information of the Compound
Compound ID
CP0395455
Compound Name
(R)-N-alpha-(2,2-Diphenylacetyl)-N-(4-ureidomethylbenzyl)argininamide
    Show/Hide
Synonyms
191868-13-0
191868-14-1
AC1NSJUH
AKOS024457083
BDBM50343731
BIBO 3304 TRIFLUOROACETATE
BIBO-3304
BIBO-3304 free base
BIBO3304
Benzeneacetamide, N-((1R)-1-((((4-(((aminocarbonyl)amino)methyl)phenyl)methyl)amino)carbonyl)-4-((aminoiminomethyl)amino)butyl)-alpha-phenyl-
Benzeneacetamide, N-(1-((((4-(((aminocarbonyl)amino)methyl)phenyl)methyl)amino)carbonyl)-4-((aminoiminomethyl)amino)butyl)-alpha-phenyl-, (R)-
CHEMBL1774204
CTK8E9767
GTPL1528
QKC82E736Q
RT-011503
SCHEMBL6899864
UNII-QKC82E736Q
ZINC3952359
    Show/Hide
Structure
Formula
C29H35N7O3
Molecular Weight
529.645
Canonical SMILES
NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1
    Show/Hide
InChI
InChI=1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1
    Show/Hide
InChIKey
TVMJSGGZULFVCZ-XMMPIXPASA-N
Physicochemical Property
logP
1.8416
Rotatable Bonds
13
Heavy Atom Count
39
Polar Areas
177.72
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
4
Complexity
39

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5311022
SID: 14811987
ChEMBL ID
CHEMBL1774204
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: PT02259, Neuropeptide Y receptor type 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.25 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01909, Neuropeptide Y receptor type 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki > 5000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BIBO3304 )
Drug Name BIBO3304
Target(s)
Neuropeptide Y receptor type 1 (NPY1R)
 Target Info 
Antagonist