| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 24 | Yes |
Popular Name: 4-Amino-1-tert-butyl-3-(1'-naphthyl)pyrazolo[3,4-d]pyrimidine 4-Amino-1-tert-butyl-3-(1'-napht…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 221243-82-9 , [221243-82-9]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.71 | -0.34 | -10.16 | 2 | 5 | 0 | 69 | 317.396 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.03 | -0.06 | -31.68 | 3 | 5 | 1 | 71 | 318.404 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000042042A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.36 | Binding ≤ 10μM |
| CSK-1-E | Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1970 | 0.33 | Binding ≤ 10μM |
| FYN-1-E | Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic | Eukaryotes | 600 | 0.36 | Binding ≤ 10μM |
| KC1D-1-E | Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.40 | Binding ≤ 10μM |
| KPCD1-1-E | Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic | Eukaryotes | 900 | 0.35 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 660 | 0.36 | Binding ≤ 10μM |
| MK08-1-E | Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 620 | 0.36 | Binding ≤ 10μM |
| Q9BJF5-1-E | Calmodulin-domain Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.34 | Binding ≤ 10μM |
| RIPK2-1-E | Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.40 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 340 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 270 | 0.38 | Binding ≤ 1μM |
| KC1D_HUMAN | P48730 | Casein Kinase I Delta, Human | 150 | 0.40 | Binding ≤ 1μM |
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 900 | 0.35 | Binding ≤ 1μM |
| RIPK2_HUMAN | O43353 | Serine/threonine-protein Kinase RIPK2, Human | 120 | 0.40 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 600 | 0.36 | Binding ≤ 1μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 600 | 0.36 | Binding ≤ 1μM |
| LCK_MOUSE | P06240 | Tyrosine-protein Kinase LCK, Mouse | 660 | 0.36 | Binding ≤ 1μM |
| SRC_CHICK | P00523 | Tyrosine-protein Kinase SRC, Chick | 340 | 0.38 | Binding ≤ 1μM |
| MK08_HUMAN | P45983 | C-Jun N-terminal Kinase 1, Human | 270 | 0.38 | Binding ≤ 10μM |
| Q9BJF5_TOXGO | Q9BJF5 | Calmodulin-domain Protein Kinase 1, Toxgo | 1600 | 0.34 | Binding ≤ 10μM |
| KC1D_HUMAN | P48730 | Casein Kinase I Delta, Human | 150 | 0.40 | Binding ≤ 10μM |
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 900 | 0.35 | Binding ≤ 10μM |
| RIPK2_HUMAN | O43353 | Serine/threonine-protein Kinase RIPK2, Human | 120 | 0.40 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 600 | 0.36 | Binding ≤ 10μM |
| CSK_HUMAN | P41240 | Tyrosine-protein Kinase CSK, Human | 1970 | 0.33 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 600 | 0.36 | Binding ≤ 10μM |
| LCK_MOUSE | P06240 | Tyrosine-protein Kinase LCK, Mouse | 660 | 0.36 | Binding ≤ 10μM |
| SRC_CHICK | P00523 | Tyrosine-protein Kinase SRC, Chick | 340 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of BIM and translocation to mitochondria | |
| Activation of BMF and translocation to mitochondria | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| c-src mediated regulation of Cx43 function and closure of gap junctions | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| CDO in myogenesis | |
| Cell surface interactions at the vascular wall | |
| Circadian Clock | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| DSCAM interactions | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated MAPK activation | |
| FCGR activation | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GP1b-IX-V activation signalling | |
| GPVI-mediated activation cascade | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin-1 signaling | |
| Interleukin-2 signaling | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| NOD1/2 Signaling Pathway | |
| NRAGE signals death through JNK | |
| NRIF signals cell death from the nucleus | |
| Oxidative Stress Induced Senescence | |
| p130Cas linkage to MAPK signaling for integrins | |
| p38MAPK events | |
| p75NTR recruits signalling complexes | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of signaling by CBL | |
| Role of Abl in Robo-Slit signaling | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| Sphingolipid de novo biosynthesis | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrazolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/1523.gif)
![3-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/233606.gif)