| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 25 | No |
| 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) | 3.53 | 4.21 | -12.43 | 3 | 5 | 0 | 86 | 328.327 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.68e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK4-2-E | Cyclin-dependent Kinase 4 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3750 | 0.30 | Binding ≤ 10μM |
| CHK1-2-E | Serine/threonine-protein Kinase Chk1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 47 | 0.41 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCD1-1-E | Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCD3-1-E | Protein Kinase C Nu (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCI-1-E | Protein Kinase C Iota (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCT-1-E | Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| WEE1-1-E | Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 98 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 47 | 0.41 | Binding ≤ 1μM |
| WEE1_HUMAN | P30291 | Serine/threonine-protein Kinase WEE1, Human | 97 | 0.39 | Binding ≤ 1μM |
| CDK4_HUMAN | P11802 | Cyclin-dependent Kinase 4, Human | 3750 | 0.30 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCI_HUMAN | P41743 | Protein Kinase C Iota, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCD3_HUMAN | O94806 | Protein Kinase C Nu, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 3400 | 0.31 | Binding ≤ 10μM |
| KPCZ_HUMAN | Q05513 | Protein Kinase C Zeta, Human | 3400 | 0.31 | Binding ≤ 10μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 47 | 0.41 | Binding ≤ 10μM |
| WEE1_HUMAN | P30291 | Serine/threonine-protein Kinase WEE1, Human | 97 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of ATR in response to replication stress | |
| Activation of NF-kappaB in B cells | |
| Apoptotic cleavage of cellular proteins | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin D associated events in G1 | |
| Cyclin E associated events during G1/S transition | |
| DAG and IP3 signaling | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Downstream TCR signaling | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated NF-kB activation | |
| G alpha (z) signalling events | |
| G2/M DNA damage checkpoint | |
| G2/M DNA replication checkpoint | |
| GPVI-mediated activation cascade | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon gamma signaling | |
| Meiotic recombination | |
| Netrin-1 signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| p75NTR recruits signalling complexes | |
| Polo-like kinase mediated events | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| RMTs methylate histone arginines | |
| Role of phospholipids in phagocytosis | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signaling by SCF-KIT | |
| Sphingolipid de novo biosynthesis | |
| Syndecan interactions | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| Tight junction interactions | |
| Trafficking of GluR2-containing AMPA receptors | |
| Transcriptional regulation of white adipocyte differentiation | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A | |
| Ubiquitin-dependent degradation of Cyclin D1 | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
