General Information of the Compound
Compound ID
CP0862809
Compound Name
6-(Methylamino)nicotinic acid
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Structure
Formula
C7H8N2O2
Molecular Weight
152.153
Canonical SMILES
CNc1ccc(C(=O)O)cn1
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InChI
InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
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InChIKey
YDKUKBAONMWJHB-UHFFFAOYSA-N
Physicochemical Property
logP
0.8215
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
11

"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: 22271415
ChEMBL ID
CHEMBL235168
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: PT02010, Hydroxycarboxylic acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 7413.1 nM
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