| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 24 | Yes |
Popular Name: N-[(3R)-1-[(4-chlorophenyl)methyl]-3-piperidyl]-1H-indazol-5-amine N-[(3R)-1-[(4-chlorophenyl)methy…
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) | 4.62 | 9.36 | -51.61 | 3 | 4 | 1 | 45 | 341.866 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK1-2-E | Rho-associated Protein Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 11 | 0.46 | Binding ≤ 10μM |
| ROCK2-2-E | Rho-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 11 | 0.46 | Binding ≤ 10μM |
| CCR2-1-E | C-C Chemokine Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 11 | 0.46 | Binding ≤ 1μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 11 | 0.46 | Binding ≤ 1μM |
| ROCK1_HUMAN | Q13464 | Rho-associated Protein Kinase 1, Human | 11 | 0.46 | Binding ≤ 10μM |
| ROCK2_HUMAN | O75116 | Rho-associated Protein Kinase 2, Human | 11 | 0.46 | Binding ≤ 10μM |
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 1000 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Apoptotic cleavage of cellular proteins | |
| Beta defensins | |
| Chemokine receptors bind chemokines | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| Sema4D induced cell migration and growth-cone collapse | |
| VEGFA-VEGFR2 Pathway |
