| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 32 | Yes |
Popular Name: 3-chloro-N-[[3-[[4-(dimethylaminomethyl)phenyl]carbamoyl]phenyl]methyl]-4-methoxy-benzamide 3-chloro-N-[[3-[[4-(dimethylamin…
None
| 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) | 3.86 | 10.38 | -50.32 | 3 | 6 | 1 | 72 | 452.962 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK2-2-E | Rho-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 92 | 0.31 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 1600 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 230 | 0.29 | Binding ≤ 1μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 230 | 0.29 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1600 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| G alpha (12/13) signalling events | |
| Sema4D induced cell migration and growth-cone collapse | |
| VEGFA-VEGFR2 Pathway |
