| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 17 | Yes |
Popular Name: 2-(7-Methoxy-2-oxo-2H-chromen-4-yl)acetic acid 2-(7-Methoxy-2-oxo-2H-chromen-4-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 62935-72-2 , [62935-72-2]
(7-Methoxy-2-oxo-2H-chromen-4-yl)-acetic acid
(7-Methoxy-2-oxo-2H-chromen-4-yl)acetic acid
2-(7-Methoxy-2-oxo-2H-chromen-4-yl)aceticacid
2H-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo-
7-Methoxy-2-oxo-2H-1-benzopyran-4-acetic acid
| 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) | 1.40 | 6.52 | -44.95 | 0 | 5 | -1 | 80 | 233.199 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 183 - 187 | Enamine Building Blocks |
| MP | 184 - 186 | Enamine Building Blocks |
| MP | 184...186 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 370 | 0.53 | Binding ≤ 10μM |
| LCK-3-E | Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic | Eukaryotes | 2500 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 370 | 0.53 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 370 | 0.53 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 2500 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downstream TCR signaling | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Interleukin-2 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Pregnenolone biosynthesis | |
| Regulation of KIT signaling | |
| Signaling by SCF-KIT | |
| Translocation of ZAP-70 to Immunological synapse |
No pre-computed analogs available. Try a structural similarity search.