General Information of the Compound
Compound ID
CP0425719
Compound Name
(R)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(naphthalen-2-yl)propanamide
    Show/Hide
Structure
Formula
C25H31N3O
Molecular Weight
389.543
Canonical SMILES
NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C25H31N3O/c26-15-7-2-8-16-28(19-20-9-3-1-4-10-20)25(29)24(27)18-21-13-14-22-11-5-6-12-23(22)17-21/h1,3-6,9-14,17,24H,2,7-8,15-16,18-19,26-27H2/t24-/m1/s1
    Show/Hide
InChIKey
LZDGUDVPKCSOIH-XMMPIXPASA-N
Physicochemical Property
logP
3.8674
Rotatable Bonds
10
Heavy Atom Count
29
Polar Areas
72.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44434657
ChEMBL ID
CHEMBL238341
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: PT01325, Melanocortin receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 41000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00914, Melanocortin receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 13000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01804, Melanocortin receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 24000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01440, Melanocyte-stimulating hormone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000087 B16 Mus musculus (Mouse)  1
1
Ki = 5000 nM
   TI
   LI
   LO
   TS