| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 21 | Yes |
Popular Name: 1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea 1-(3-Bromo-4-cyano-2-hydroxyphen…
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CAS Number: 468064-37-1
| 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) | 4.10 | -2.94 | -8.61 | 3 | 5 | 0 | 85 | 411.053 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR1-1-E | Interleukin-8 Receptor A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 0.37 | Binding ≤ 10μM |
| CXCR2-1-E | Interleukin-8 Receptor B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.55 | Binding ≤ 10μM |
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 1 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CXCR2_HUMAN | P25025 | Interleukin-8 Receptor B, Human | 6 | 0.55 | Binding ≤ 1μM |
| CXCR1_HUMAN | P25024 | Interleukin-8 Receptor A, Human | 2600 | 0.37 | Binding ≤ 10μM |
| CXCR2_HUMAN | P25025 | Interleukin-8 Receptor B, Human | 6 | 0.55 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 0.79 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.