General Information of the Compound
Compound ID
CP0016790
Compound Name
1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
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Synonyms
1 NM-PP1
1-(1,1-dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-(tert-butyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-NM-PP1
1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1NM-PP1(PP1 Analog II)
221244-14-0
4-Amino-1-tert-butyl-3-(1'-naphthylmethyl)pyrazolo[3,4-d]pyrimidine
AC1NP9I6
C20H21N5
CHEBI:52309
CHEMBL573578
MMV676599
Mutant Kinases Inhibitor II
NM-PP1
PP1 Analog II, 1NM-PP1
W-201917
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Structure
Formula
C20H21N5
Molecular Weight
331.423
Canonical SMILES
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
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InChI
InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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InChIKey
GDQXJQSQYMMKRA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9075
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 5154691
SID: 14777531
ChEMBL ID
CHEMBL573578
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 580.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01096, Serine/threonine-protein kinase D1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1013 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 250 nM
Protein ID: PT00953, Serine/threonine-protein kinase D2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 786 nM
   TI
   LI
   LO
   TS
Protein ID: PT01060, Serine/threonine-protein kinase D3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 616 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000114 Z-138 Homo sapiens (Human)  1
1
IC50 > 23700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NM-PP1 )
Drug Name NM-PP1
Target(s)
RIP2 messenger RNA (RIP2 mRNA)
Inhibitor
Stress-activated protein kinase JNK1 (JNK1)
Inhibitor
PRKACA messenger RNA (PRKACA mRNA)
Inhibitor
Proto-oncogene c-Src (SRC)
Inhibitor
LCK tyrosine protein kinase (LCK)
Inhibitor