| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 34 | Yes |
Popular Name: 2-(1,4'-Bipiperidin)-1'-yl-N-cycloheptyl-6,7-dimethoxy-4-quinazolinamine 2-(1,4'-Bipiperidin)-1'-yl-N-cyc…
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CAS Number: 864289-85-0
2-[1,4'-BIPIPERIDIN]-1'-YL-N-CYCLOHEPTYL-6,7-DIMETHOXY-4-QUINAZOLINAMINE DIHYDROCHLORIDE
| 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) | 5.84 | 15.59 | -84.4 | 3 | 7 | 2 | 65 | 469.674 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antihypertensive | KeyOrganics Bioactives |
| 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 | 73 | 0.29 | Binding ≤ 10μM |
| CCR4-1-E | C-C Chemokine Receptor Type 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 39 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 18 | 0.32 | Binding ≤ 1μM |
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 18 | 0.32 | Binding ≤ 10μM |
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 140 | 0.28 | Functional ≤ 10μM |
| CCR4_MOUSE | P51680 | C-C Chemokine Receptor Type 4, Mouse | 39 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.