| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 38 | Yes |
Popular Name: 1-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-3-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]urea 1-[4-[(6-aminoquinazolin-4-yl)am…
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| 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) | 6.34 | 13.43 | -19.74 | 5 | 9 | 0 | 123 | 506.614 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 770 | 0.23 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 800 | 0.22 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 73 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 570 | 0.23 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 342 | 0.24 | Binding ≤ 1μM |
| SRC_CHICK | P00523 | Tyrosine-protein Kinase SRC, Chick | 21 | 0.28 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 570 | 0.23 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1400 | 0.22 | Binding ≤ 10μM |
| SRC_CHICK | P00523 | Tyrosine-protein Kinase SRC, Chick | 21 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| c-src mediated regulation of Cx43 function and closure of gap junctions | |
| CD28 co-stimulation | |
| CDO in myogenesis | |
| CTLA4 inhibitory signaling | |
| DCC mediated attractive signaling | |
| Downstream signal transduction | |
| DSCAM interactions | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| ERK/MAPK targets | |
| FCERI mediated MAPK activation | |
| GAB1 signalosome | |
| GP1b-IX-V activation signalling | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Integrin alphaIIb beta3 signaling | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| NCAM signaling for neurite out-growth | |
| Netrin mediated repulsion signals | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p130Cas linkage to MAPK signaling for integrins | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Regulation of KIT signaling | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
