| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2006 | 26 | Yes |
Popular Name: TG100-115 TG100-115
Find On: PubMed — Wikipedia — Google
CAS Numbers: 677297-51-7 , [677297-51-7]
3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
3-(2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl)phenol
3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol
| 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) | 1.88 | 1.23 | -14.92 | 6 | 8 | 0 | 144 | 346.35 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 1.54 | -29.37 | 7 | 8 | 1 | 145 | 347.358 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | -2.55 | -35.17 | 7 | 8 | 1 | 145 | 347.358 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | PI3K | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1300 | 0.32 | Binding ≤ 10μM |
| PK3CB-2-E | PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.32 | Binding ≤ 10μM |
| PK3CD-2-E | PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 235 | 0.36 | Binding ≤ 10μM |
| PK3CG-2-E | PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 83 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 235 | 0.36 | Binding ≤ 1μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 83 | 0.38 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 1300 | 0.32 | Binding ≤ 10μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 1200 | 0.32 | Binding ≤ 10μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 235 | 0.36 | Binding ≤ 10μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 83 | 0.38 | Binding ≤ 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.