| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 27 | No |
Popular Name: PIK-75 PIK-75
Find On: PubMed — Wikipedia — Google
CAS Numbers: 372196-67-3 , 372196-77-5 , 945619-31-8 , [372196-67-3]
N'-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
| 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) | 3.38 | 8.06 | -19.95 | 0 | 9 | 0 | 113 | 452.29 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | PI3K, DNA-PK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P3C2B-1-E | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.36 | Binding ≤ 10μM |
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.42 | Binding ≤ 10μM |
| PK3CB-2-E | PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 850 | 0.31 | Binding ≤ 10μM |
| PK3CD-2-E | PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 910 | 0.31 | Binding ≤ 10μM |
| PK3CG-2-E | PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 40 | 0.38 | Binding ≤ 10μM |
| Z103203-1-O | A375 (cluster #1 Of 3), Other | Other | 58 | 0.38 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 39 | 0.38 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 69 | 0.37 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 51 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P3C2B_HUMAN | O00750 | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human | 100 | 0.36 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 7.8 | 0.42 | Binding ≤ 1μM |
| PK3CA_BOVIN | P32871 | PI3-kinase P110-alpha Subunit, Bovin | 0.3 | 0.49 | Binding ≤ 1μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 340 | 0.34 | Binding ≤ 1μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 910 | 0.31 | Binding ≤ 1μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 40 | 0.38 | Binding ≤ 1μM |
| P3C2B_HUMAN | O00750 | Phosphatidylinositol-4-phosphate 3-kinase C2 Domain-containing Beta Polypeptide, Human | 100 | 0.36 | Binding ≤ 10μM |
| PK3CA_BOVIN | P32871 | PI3-kinase P110-alpha Subunit, Bovin | 0.3 | 0.49 | Binding ≤ 10μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 7.8 | 0.42 | Binding ≤ 10μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 340 | 0.34 | Binding ≤ 10μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 910 | 0.31 | Binding ≤ 10μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 40 | 0.38 | Binding ≤ 10μM |
| Z103203 | Z103203 | A375 | 58 | 0.38 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 69 | 0.37 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 51 | 0.38 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 19 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| DAP12 signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| G beta:gamma signalling through PI3Kgamma | |
| GAB1 signalosome | |
| GPVI-mediated activation cascade | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Nephrin interactions | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| Signaling by constitutively active EGFR | |
| Signaling by FGFR mutants | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by SCF-KIT | |
| Synthesis of PIPs at the plasma membrane | |
| Tie2 Signaling | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.