General Information of the Compound
Compound ID
CP0401986
Compound Name
(2R,3S)-3-amino-3-(6-tert-butylimidazo[1,2-a]pyridin-2-yl)-2-methylpropanamide
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Structure
Formula
C15H22N4O
Molecular Weight
274.368
Canonical SMILES
C[C@H]([C@H](N)c1cn2cc(ccc2n1)C(C)(C)C)C(N)=O
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InChI
InChI=1S/C15H22N4O/c1-9(14(17)20)13(16)11-8-19-7-10(15(2,3)4)5-6-12(19)18-11/h5-9,13H,16H2,1-4H3,(H2,17,20)/t9-,13+/m1/s1
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InChIKey
MHVVQGCDRSPVRZ-RNCFNFMXSA-N
Physicochemical Property
logP
1.753
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
86.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 86699098
ChEMBL ID
CHEMBL4452291
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 45 nM
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   LI
   LO
   TS