| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 38 | Yes |
Popular Name: 6-[4-(1-benzyl-4-piperidyl)piperazin-1-yl]-5-chloro-N-(2-phenoxyethyl)pyridine-3-carboxamide 6-[4-(1-benzyl-4-piperidyl)piper…
| 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) | 4.34 | 12.71 | -45.03 | 2 | 7 | 1 | 62 | 535.112 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 14.87 | -117.09 | 3 | 7 | 2 | 63 | 536.12 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3-1-E | C-X-C Chemokine Receptor Type 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 1900 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
