| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 28 | No |
Popular Name: (2Z)-4-hydroxy-2-[(1-methyl-4-phenyl-pyrrolo[2,3-b]pyridin-3-yl)methylene]benzofuran-3-one (2Z)-4-hydroxy-2-[(1-methyl-4-ph…
| 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) | 4.01 | 9.82 | -15.1 | 1 | 5 | 0 | 68 | 368.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 10.59 | -59.59 | 0 | 5 | -1 | 71 | 367.384 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTOR-2-E | Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 89 | 0.35 | Binding ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 200 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 3.45 | 0.42 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 89 | 0.35 | Binding ≤ 1μM |
| MTOR_HUMAN | P42345 | FK506 Binding Protein 12, Human | 3.45 | 0.42 | Binding ≤ 10μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 89 | 0.35 | Binding ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 200 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| 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 | |
| GAB1 signalosome | |
| GPVI-mediated activation cascade | |
| HSF1-dependent transactivation | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| mTOR signalling | |
| 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 | |
| Release of eIF4E | |
| 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 | |
| Synthesis of PIPs at the plasma membrane | |
| Tie2 Signaling | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrrolo[2,3-b]pyridine](http://zinc12.docking.org/img/rings/14010.gif)
![2-[(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]coumaran-3-one](http://zinc12.docking.org/img/rings/543655.gif)