| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2006 | 35 | Yes |
Popular Name: Danusertib Danusertib
Find On: PubMed — Wikipedia — Google
CAS Numbers: 827318-97-8 , [827318-97-8]
| 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) | 1.82 | -4.38 | -57.95 | 3 | 9 | 1 | 94 | 475.573 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.30 | Binding ≤ 10μM |
| AURKA-1-E | Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3 | 0.34 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 79 | 0.28 | Binding ≤ 10μM |
| AURKC-1-E | Serine/threonine-protein Kinase Aurora-C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 61 | 0.29 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 462 | 0.25 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 47 | 0.29 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 669 | 0.25 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 407 | 0.26 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 155 | 0.27 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.30 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3500 | 0.22 | Binding ≤ 10μM |
| RET-1-E | Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic | Eukaryotes | 31 | 0.30 | Binding ≤ 10μM |
| SLK-1-E | Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 621 | 0.25 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 432 | 0.25 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 161 | 0.27 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 80 | 0.28 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 80 | 0.28 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 28 | 0.30 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 140 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 462 | 0.25 | Binding ≤ 1μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 47 | 0.29 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 30 | 0.30 | Binding ≤ 1μM |
| SLK_HUMAN | Q9H2G2 | Serine/threonine-protein Kinase 2, Human | 621 | 0.25 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 13 | 0.32 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 79 | 0.28 | Binding ≤ 1μM |
| AURKC_HUMAN | Q9UQB9 | Serine/threonine-protein Kinase Aurora-C, Human | 61 | 0.29 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 407 | 0.26 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 25 | 0.30 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 155 | 0.27 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 669 | 0.25 | Binding ≤ 1μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 31 | 0.30 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 432 | 0.25 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 161 | 0.27 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 462 | 0.25 | Binding ≤ 10μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 47 | 0.29 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 30 | 0.30 | Binding ≤ 10μM |
| SLK_HUMAN | Q9H2G2 | Serine/threonine-protein Kinase 2, Human | 621 | 0.25 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 13 | 0.32 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 79 | 0.28 | Binding ≤ 10μM |
| AURKC_HUMAN | Q9UQB9 | Serine/threonine-protein Kinase Aurora-C, Human | 61 | 0.29 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 3500 | 0.22 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 407 | 0.26 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 25 | 0.30 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 155 | 0.27 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 669 | 0.25 | Binding ≤ 10μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 31 | 0.30 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 432 | 0.25 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 161 | 0.27 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 28 | 0.30 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 31 | 0.30 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 140 | 0.27 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 80 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of the pre-replicative complex | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| ARMS-mediated activation | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| CDO in myogenesis | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| DAP12 signaling | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Downstream TCR signaling | |
| EPHA-mediated growth cone collapse | |
| Factors involved in megakaryocyte development and platelet production | |
| Frs2-mediated activation | |
| G0 and Early G1 | |
| G2 Phase | |
| Generation of second messenger molecules | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| GPVI-mediated activation cascade | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Meiotic recombination | |
| Mitotic Metaphase/Anaphase Transition | |
| Mitotic Prometaphase | |
| Mitotic Telophase/Cytokinesis | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Neurophilin interactions with VEGF and VEGFR | |
| NGF-independant TRKA activation | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of the APC/C | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| PLC-gamma1 signalling | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Retrograde neurotrophin signalling | |
| Role of Abl in Robo-Slit signaling | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Separation of Sister Chromatids | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by FGFR mutants | |
| Signaling by SCF-KIT | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| Translocation of ZAP-70 to Immunological synapse | |
| TRKA activation by NGF | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
