| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 24 | Yes |
Popular Name: [5-(4-methoxyphenyl)-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine [5-(4-methoxyphenyl)-7-phenyl-py…
| 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) | 3.28 | 0.07 | -9.66 | 2 | 5 | 0 | 65 | 316.364 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.37 | Binding ≤ 10μM |
| ABL2-1-E | Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.37 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 350 | 0.38 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 158 | 0.40 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 200 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 350 | 0.38 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 400 | 0.37 | Binding ≤ 1μM |
| ABL2_HUMAN | P42684 | Tyrosine-protein Kinase ABL2, Human | 400 | 0.37 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 158.489319 | 0.40 | Binding ≤ 1μM |
| SRC_CHICK | P00523 | Tyrosine-protein Kinase SRC, Chick | 150 | 0.40 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 200 | 0.39 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 350 | 0.38 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 400 | 0.37 | Binding ≤ 10μM |
| ABL2_HUMAN | P42684 | Tyrosine-protein Kinase ABL2, Human | 400 | 0.37 | Binding ≤ 10μM |
| SRC_CHICK | P00523 | Tyrosine-protein Kinase SRC, Chick | 150 | 0.40 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 158.489319 | 0.40 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 200 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| c-src mediated regulation of Cx43 function and closure of gap junctions | |
| CD28 co-stimulation | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DCC mediated attractive signaling | |
| Downstream signal transduction | |
| DSCAM interactions | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| GAB1 signalosome | |
| GP1b-IX-V activation signalling | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| NCAM signaling for neurite out-growth | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| p130Cas linkage to MAPK signaling for integrins | |
| p38MAPK events | |
| 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 | |
| Role of Abl in Robo-Slit signaling | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal regulatory protein (SIRP) family interactions | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by SCF-KIT | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.