| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 21 | Yes |
Popular Name: 5,7-Dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one 5,7-Dihydroxy-4-methyl-3-(4-meth…
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CAS Number: 1209261-56-2
| 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) | 1.52 | 4.08 | -42.08 | 3 | 6 | 1 | 78 | 291.327 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 1.72 | -13.02 | 2 | 6 | 0 | 77 | 290.319 | 1 | ↓ |
| 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 | 21 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 21.2 | 0.51 | Binding ≤ 1μM |
| CCR4_HUMAN | P51679 | C-C Chemokine Receptor Type 4, Human | 21.2 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.