General Information of the Compound
Compound ID
CP0555711
Compound Name
3-(cyclopropylmethylamino)pyridine-4-carboxylic acid
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Structure
Formula
C10H12N2O2
Molecular Weight
192.218
Canonical SMILES
OC(=O)c1ccncc1NCC1CC1
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InChI
InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-6-9(8)12-5-7-1-2-7/h3-4,6-7,12H,1-2,5H2,(H,13,14)
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InChIKey
KSBDUYJBMHLFMK-UHFFFAOYSA-N
Physicochemical Property
logP
1.6017
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 81750629
ChEMBL ID
CHEMBL3775957
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: PT02979, Lysine-specific demethylase 4C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 31622.78 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 125.89 nM