| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 34 | Yes |
Popular Name: N-cycloheptyl-2-(1-cyclohexyl-4-piperidyl)-6,7-dimethoxy-quinazolin-4-amine N-cycloheptyl-2-(1-cyclohexyl-4-…
| 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) | 5.97 | 13.78 | -38.42 | 2 | 6 | 1 | 61 | 467.678 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.97 | 14.23 | -92.88 | 3 | 6 | 2 | 62 | 468.686 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR4-1-E | C-C Chemokine Receptor Type 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 510 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 510 | 0.26 | Binding ≤ 1μM |
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 510 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
