| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 25 | Yes |
Popular Name: N-(2-adamantyl)-1-[(4-chlorophenyl)methyl]piperidin-4-amine N-(2-adamantyl)-1-[(4-chlorophen…
| 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) | 5.37 | 10.64 | -39.12 | 2 | 2 | 1 | 20 | 359.965 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.37 | 12.22 | -40.9 | 2 | 2 | 1 | 16 | 359.965 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3-2-E | C-X-C Chemokine Receptor Type 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 398 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 398.107171 | 0.36 | Binding ≤ 1μM |
| CXCR3_HUMAN | P49682 | C-X-C Chemokine Receptor Type 3, Human | 398.107171 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
