| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 3rd, 2006 | 15 | No |
Popular Name: 3-Isoquinolinecarboxamide, 7,8-dihydroxy- (9CI) 3-Isoquinolinecarboxamide, 7,8-d…
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CAS Number: 146515-43-7
| 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) | 0.56 | -2.75 | -15.3 | 4 | 5 | 0 | 96 | 204.185 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | -1.98 | -38.07 | 3 | 5 | -1 | 99 | 203.177 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LCK-3-E | Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic | Eukaryotes | 500 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 500 | 0.59 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 500 | 0.59 | 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 | |
| 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.