General Information of the Compound
Compound ID
CP0405421
Compound Name
2-[1-(pyrrolidin-2-ylmethyl)-1H- imidazol-4-yl]pyridine-4- carboxylic acid
    Show/Hide
Structure
Formula
C14H16N4O2
Molecular Weight
272.308
Canonical SMILES
OC(=O)c1ccnc(c1)-c1cn(CC2CCCN2)cn1
    Show/Hide
InChI
InChI=1S/C14H16N4O2/c19-14(20)10-3-5-16-12(6-10)13-8-18(9-17-13)7-11-2-1-4-15-11/h3,5-6,8-9,11,15H,1-2,4,7H2,(H,19,20)
    Show/Hide
InChIKey
JFCPDRJTGNEZRS-UHFFFAOYSA-N
Physicochemical Property
logP
1.3953
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
80.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 90407894
ChEMBL ID
CHEMBL4286674
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: PT03776, Lysine-specific demethylase 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02979, Lysine-specific demethylase 4C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 <= 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02613, Lysine-specific demethylase 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 <= 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT03382, Lysine-specific demethylase 5B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 <= 100 nM
   TI
   LI
   LO
   TS