| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 29 | Yes |
Popular Name: Tpl2KinaseInhibitor Tpl2KinaseInhibitor
Find On: PubMed — Wikipedia — Google
CAS Number: 871307-18-5
4-((3-Chloro-4-fluorophenyl)amino)-6-((pyridin-3-ylmethyl)amino)-1,7-naphthyridine-3-carbonitrile
| 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) | 3.94 | 8.43 | -10.08 | 2 | 6 | 0 | 87 | 404.836 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 8.71 | -43.03 | 3 | 6 | 1 | 88 | 405.844 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| E2AK2-1-E | Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.32 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5000 | 0.26 | Binding ≤ 10μM |
| M3K8-1-E | Mitogen-activated Protein Kinase Kinase Kinase 8 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.35 | Functional ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8500 | 0.24 | Functional ≤ 10μM |
| MK12-1-E | MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8500 | 0.24 | Functional ≤ 10μM |
| MK13-1-E | MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8500 | 0.24 | Functional ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8500 | 0.24 | Functional ≤ 10μM |
| Z100744-1-O | Monocytes (cluster #1 Of 1), Other | Other | 700 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 250 | 0.32 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 5000 | 0.26 | Binding ≤ 10μM |
| E2AK2_HUMAN | P19525 | Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human | 250 | 0.32 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 700 | 0.30 | Functional ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 700 | 0.30 | Functional ≤ 10μM |
| MK13_HUMAN | O15264 | MAP Kinase P38 Delta, Human | 700 | 0.30 | Functional ≤ 10μM |
| MK12_HUMAN | P53778 | MAP Kinase P38 Gamma, Human | 700 | 0.30 | Functional ≤ 10μM |
| M3K8_HUMAN | P41279 | Mitogen-activated Protein Kinase Kinase Kinase 8, Human | 50 | 0.35 | Functional ≤ 10μM |
| Z100744 | Z100744 | Monocytes | 700 | 0.30 | Functional ≤ 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 | |
| CD28 dependent PI3K/Akt signaling | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| DSCAM interactions | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| ERK/MAPK targets | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| Inhibition of PKR | |
| Interleukin-1 signaling | |
| ISG15 antiviral mechanism | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| Platelet sensitization by LDL | |
| PLCG1 events in ERBB2 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 | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.