| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 29th, 2006 | 14 | Yes |
Popular Name: 4-(4-bromophenyl)-1H-1,2,3-triazole-5-carbonitrile 4-(4-bromophenyl)-1H-1,2,3-triaz…
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CAS Number: 1119392-12-9
4-(4-bromophenyl)-1H-1,2,3-triazole-5-carbonitrile, 97%
| 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) | 2.26 | 3.95 | -29.71 | 0 | 4 | -1 | 64 | 248.063 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 4.09 | -5.73 | 1 | 4 | 0 | 65 | 249.071 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 7900 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 7900 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downregulation of ERBB2:ERBB3 signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Sema4D induced cell migration and growth-cone collapse | |
| SHC1 events in ERBB2 signaling | |
| Signaling by ERBB2 |
No pre-computed analogs available. Try a structural similarity search.