General Information of the Compound
Compound ID
CP0054275
Compound Name
N-cyclopentyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
    Show/Hide
Structure
Formula
C14H23N5
Molecular Weight
261.373
Canonical SMILES
CN[C@@H]1CCN(C1)c1cnnc(NC2CCCC2)c1
    Show/Hide
InChI
InChI=1S/C14H23N5/c1-15-12-6-7-19(10-12)13-8-14(18-16-9-13)17-11-4-2-3-5-11/h8-9,11-12,15H,2-7,10H2,1H3,(H,17,18)/t12-/m1/s1
    Show/Hide
InChIKey
QLDXTDXXBCKZJH-GFCCVEGCSA-N
Physicochemical Property
logP
1.6292
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
53.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 58227337
ChEMBL ID
CHEMBL3393553
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Kd = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6 nM