General Information of the Compound
Compound ID
CP0423346
Compound Name
N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
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Synonyms
73029-73-9
AC1LIR5Q
BDBM50275157
C16H23N5
CHEMBL453730
CTK8F8875
CyPPA
CyPPA, &gt
DTXSID20358676
GTPL2323
HMS3262M15
MFCD01550586
MolPort-000-762-862
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SCHEMBL3233745
STK052676
Tox21_500707
USEMRPYUFJNFQN-UHFFFAOYSA-N
ZINC492516
cyclohexyl-[2-(3,5-dimethyl-pyrazol-1-yl)-6-methyl-pyrimidin-4-yl]-amine
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Structure
Formula
C16H23N5
Molecular Weight
285.395
Canonical SMILES
Cc1cc(C)n(n1)-c1nc(C)cc(NC2CCCCC2)n1
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InChI
InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)
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InChIKey
USEMRPYUFJNFQN-UHFFFAOYSA-N
Physicochemical Property
logP
3.33216
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 909822
SID: 46497387
ChEMBL ID
CHEMBL453730
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: PT06093, Small conductance calcium-activated potassium channel protein 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7480 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02468, Small conductance calcium-activated potassium channel protein 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki > 50000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CyPPA )
Drug Name CyPPA
Target(s)
Calcium-activated potassium channel KCa2.2 (KCNN2)
 Target Info 
Activator
Calcium-activated potassium channel KCa2.3 (KCNN3)
 Target Info 
Activator