| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 33 | No |
Popular Name: Ro-21-8837-001 Ro-21-8837-001
Find On: PubMed — Wikipedia — Google
CAS Number: 52205-73-9
52205-73-9; D02398; Emcyt (TN); Estramustine phosphate sodium (USAN)
Estramustine (phosphate sodium)
Estramustine Phosphate Sodium (BAN
| 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) | 4.08 | 1.13 | -150.76 | 0 | 7 | -2 | 101 | 518.374 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0089693A1; EP0304341A2; EP0304341B1; EP0351561A1; EP0351561B1; EP0841940A1; EP0851919A1; EP0856052A1; EP0875246A1; US4584136; US4609496; US4615835; US4634691; US4835182; US5744460; US5788963; WO1984002270A1; WO1997004802A1; WO1997011170A1; WO1997011172A | IBM Patent Data |
| Patent Database Links | EP1719527 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN11-1-E | Protein-tyrosine Phosphatase 2C (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8400 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN11_HUMAN | Q06124 | Protein-tyrosine Phosphatase 2C, Human | 8400 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| CTLA4 inhibitory signaling | |
| Downstream signal transduction | |
| FRS2-mediated cascade | |
| GAB1 signalosome | |
| Interferon alpha/beta signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Negative regulation of FGFR signaling | |
| Netrin mediated repulsion signals | |
| PD-1 signaling | |
| PECAM1 interactions | |
| PI-3K cascade | |
| PI3K Cascade | |
| PIP3 activates AKT signaling | |
| Platelet sensitization by LDL | |
| Prolactin receptor signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Spry regulation of FGF signaling | |
| Tie2 Signaling |
No pre-computed analogs available. Try a structural similarity search.