| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2008 | 35 | Yes |
Popular Name: GDC-0941 GDC-0941
Find On: PubMed — Wikipedia — Google
CAS Numbers: 957054-30-7 , 957054-30-7; 957054-33-0 , 957054-33-0 , [957054-30-7] , [957054-33-0]
2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinothieno[3,2-d]pyrimidine
| 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) | 2.44 | 5.07 | -19.39 | 1 | 10 | 0 | 108 | 513.649 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 7.29 | -60.13 | 2 | 10 | 1 | 109 | 514.657 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | PI3K | Selleck Chemicals |
| Reactome Database Links | REACT_147854 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AKT1-2-E | RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 46 | 0.29 | Binding ≤ 10μM |
| MTOR-2-E | Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 570 | 0.25 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2850 | 0.22 | Binding ≤ 10μM |
| P3C2B-1-E | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide (cluster #1 Of 1), Eukaryotic | Eukaryotes | 670 | 0.25 | Binding ≤ 10μM |
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.34 | Binding ≤ 10μM |
| PK3CB-2-E | PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 33 | 0.30 | Binding ≤ 10μM |
| PK3CD-2-E | PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.34 | Binding ≤ 10μM |
| PK3CG-2-E | PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 75 | 0.28 | Binding ≤ 10μM |
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1230 | 0.24 | Binding ≤ 10μM |
| Z80240-1-O | MDA-MB-361 (cluster #1 Of 1), Other | Other | 720 | 0.25 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 390 | 0.26 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 140 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 310 | 0.26 | Binding ≤ 1μM |
| P3C2B_HUMAN | O00750 | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human | 670 | 0.25 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 10.2 | 0.32 | Binding ≤ 1μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 32 | 0.30 | Binding ≤ 1μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 3 | 0.34 | Binding ≤ 1μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 66 | 0.29 | Binding ≤ 1μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 28 | 0.30 | Binding ≤ 1μM |
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 1230 | 0.24 | Binding ≤ 10μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 310 | 0.26 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 2850 | 0.22 | Binding ≤ 10μM |
| P3C2B_HUMAN | O00750 | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human | 670 | 0.25 | Binding ≤ 10μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 10.2 | 0.32 | Binding ≤ 10μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 32 | 0.30 | Binding ≤ 10μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 3 | 0.34 | Binding ≤ 10μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 66 | 0.29 | Binding ≤ 10μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 28 | 0.30 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 140 | 0.27 | Functional ≤ 10μM |
| Z80240 | Z80240 | MDA-MB-361 | 720 | 0.25 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 280 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer |
| Description | Species |
|---|---|
| Activation of BAD and translocation to mitochondria | |
| AKT phosphorylates targets in the cytosol | |
| AKT phosphorylates targets in the nucleus | |
| AKT-mediated inactivation of FOXO1A | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| ARMS-mediated activation | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| CTLA4 inhibitory signaling | |
| Cytosolic sensors of pathogen-associated DNA | |
| DAP12 signaling | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of ERBB2:ERBB3 signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| eNOS activation | |
| Frs2-mediated activation | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| GAB1 signalosome | |
| GPVI-mediated activation cascade | |
| HSF1-dependent transactivation | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| IRF3-mediated induction of type I IFN | |
| KSRP destabilizes mRNA | |
| mTOR signalling | |
| Negative regulation of the PI3K/AKT network | |
| Nephrin interactions | |
| NGF-independant TRKA activation | |
| Nonhomologous End-joining (NHEJ) | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| PLC-gamma1 signalling | |
| Processing of DNA ends prior to end rejoining | |
| Regulation of signaling by CBL | |
| Release of eIF4E | |
| Retrograde neurotrophin signalling | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| S6K1-mediated signalling | |
| Signaling by constitutively active EGFR | |
| Signaling by FGFR mutants | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by SCF-KIT | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| Synthesis of PIPs at the plasma membrane | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| Tie2 Signaling | |
| Translocation of GLUT4 to the plasma membrane | |
| TRKA activation by NGF | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.