| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 28 | Yes |
Popular Name: NU-6102 NU-6102
| 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) | 3.30 | 5.84 | -17.28 | 4 | 9 | 0 | 136 | 402.48 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.30 | 6.38 | -43.75 | 5 | 9 | 1 | 137 | 403.488 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 5.48 | -18.48 | 4 | 9 | 0 | 139 | 402.48 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.89e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA2-3-E | Cyclin A2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| CCNB1-1-E | G2/mitotic-specific Cyclin B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| CCNB2-1-E | G2/mitotic-specific Cyclin B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| CCNB3-1-E | G2/mitotic-specific Cyclin B3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| CDK1-1-E | Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 80 | 0.35 | Binding ≤ 10μM |
| CDK4-1-E | Cyclin-dependent Kinase 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1600 | 0.29 | Binding ≤ 10μM |
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.32 | Binding ≤ 10μM |
| DYR1A-3-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 900 | 0.30 | Binding ≤ 10μM |
| GSK3B-4-E | Glycogen Synthase Kinase-3 Beta (cluster #4 Of 7), Eukaryotic | Eukaryotes | 40 | 0.37 | Binding ≤ 10μM |
| PDK1-1-E | Pyruvate Dehydrogenase Kinase Isoform 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 800 | 0.30 | Binding ≤ 10μM |
| PDPK1-1-E | 3-phosphoinositide Dependent Protein Kinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.32 | Binding ≤ 10μM |
| ROCK2-1-E | Rho-associated Protein Kinase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDPK1_HUMAN | O15530 | 3-phosphoinositide Dependent Protein Kinase-1, Human | 500 | 0.32 | Binding ≤ 1μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 5.4 | 0.41 | Binding ≤ 1μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 9.5 | 0.40 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 103 | 0.35 | Binding ≤ 1μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 900 | 0.30 | Binding ≤ 1μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 9.5 | 0.40 | Binding ≤ 1μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 9.5 | 0.40 | Binding ≤ 1μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 9.5 | 0.40 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 40 | 0.37 | Binding ≤ 1μM |
| PDK1_HUMAN | Q15118 | Pyruvate Dehydrogenase Kinase Isoform 1, Human | 500 | 0.32 | Binding ≤ 1μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 600 | 0.31 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 500 | 0.32 | Binding ≤ 1μM |
| PDPK1_HUMAN | O15530 | 3-phosphoinositide Dependent Protein Kinase-1, Human | 500 | 0.32 | Binding ≤ 10μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 5.4 | 0.41 | Binding ≤ 10μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 9.5 | 0.40 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 103 | 0.35 | Binding ≤ 10μM |
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 1600 | 0.29 | Binding ≤ 10μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 900 | 0.30 | Binding ≤ 10μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 9.5 | 0.40 | Binding ≤ 10μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 9.5 | 0.40 | Binding ≤ 10μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 9.5 | 0.40 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 40 | 0.37 | Binding ≤ 10μM |
| PDK1_HUMAN | Q15118 | Pyruvate Dehydrogenase Kinase Isoform 1, Human | 500 | 0.32 | Binding ≤ 10μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 600 | 0.31 | Binding ≤ 10μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 500 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of PKB | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| CD28 dependent PI3K/Akt signaling | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin B2 mediated events | |
| Cyclin D associated events in G1 | |
| Cyclin E associated events during G1/S transition | |
| Degradation of beta-catenin by the destruction complex | |
| Depolymerisation of the Nuclear Lamina | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Downstream TCR signaling | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| ERK1 activation | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| G alpha (12/13) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| G2/M DNA damage checkpoint | |
| G2/M DNA replication checkpoint | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| Meiotic recombination | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Oncogene Induced Senescence | |
| Orc1 removal from chromatin | |
| Oxidative Stress Induced Senescence | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| PIP3 activates AKT signaling | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| Resolution of Sister Chromatid Cohesion | |
| RMTs methylate histone arginines | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| RSK activation | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Sema4D induced cell migration and growth-cone collapse | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signaling by SCF-KIT | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| Transcriptional regulation of white adipocyte differentiation | |
| truncations of AMER1 destabilize the destruction complex | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A | |
| Ubiquitin-dependent degradation of Cyclin D1 | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.