| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 23 | Yes |
Popular Name: 1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine, N3,N4-diphenyl- 1H-Pyrazolo[3,4-d]pyrimidine-3,4…
Find On: PubMed — Wikipedia — Google
CAS Number: 183738-38-7
| 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) | 4.25 | 10.32 | -8.33 | 3 | 6 | 0 | 79 | 302.341 | 4 | ↓ |
| Ref Reference (pH 7) | 4.25 | 10.2 | -11.69 | 3 | 6 | 0 | 79 | 302.341 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1960 | 0.35 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 58 | 0.44 | Binding ≤ 10μM |
| KPCA-5-E | Protein Kinase C Alpha (cluster #5 Of 6), Eukaryotic | Eukaryotes | 6900 | 0.31 | Binding ≤ 10μM |
| Z80037-1-O | Balb/MK (cluster #1 Of 1), Other | Other | 8400 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 58 | 0.44 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 58 | 0.44 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 6900 | 0.31 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 1960 | 0.35 | Binding ≤ 10μM |
| Z80037 | Z80037 | Balb/MK | 8400 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| Factors involved in megakaryocyte development and platelet production | |
| G alpha (z) signalling events | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of Abl in Robo-Slit signaling | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| Trafficking of GluR2-containing AMPA receptors | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
