| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 26 | Yes |
Popular Name: N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide N~3~-cyclopropyl-N~4~'-(cyclopro…
| 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) | 3.73 | -1.95 | -15.97 | 2 | 4 | 0 | 58 | 348.446 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.15e-04 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HSPB1-1-E | Heat Shock Protein Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 53 | 0.39 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 24 | 0.41 | Binding ≤ 10μM |
| MK14-2-E | MAP Kinase P38 Alpha (cluster #2 Of 3), Eukaryotic | Eukaryotes | 9 | 0.43 | Binding ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4400 | 0.29 | ADME/T ≤ 10μM |
| Z100081-4-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #4 Of 4), Other | Other | 250 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HSPB1_HUMAN | P04792 | Heat Shock Protein Beta-1, Human | 53 | 0.39 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 10 | 0.43 | Binding ≤ 1μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 1000 | 0.32 | Binding ≤ 1μM |
| HSPB1_HUMAN | P04792 | Heat Shock Protein Beta-1, Human | 53 | 0.39 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 10 | 0.43 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 1000 | 0.32 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 250 | 0.36 | Functional ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 4400 | 0.29 | ADME/T ≤ 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 | |
| AUF1 (hnRNP D0) destabilizes mRNA | |
| CDO in myogenesis | |
| CYP2E1 reactions | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| VEGFA-VEGFR2 Pathway | |
| Xenobiotics |
