| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 31 | Yes |
Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)imino]-7-hydroxy-N-pyridin-2-yl-2H-chromene-3-carboxamide (2Z)-2-[(2,5-dimethoxyphenyl)imi…
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CAS Number: [1228170-69-1]
| 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) | 3.88 | 5.35 | -28.08 | 3 | 8 | 1 | 108 | 418.429 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | -3.15 | -47.34 | 3 | 8 | 1 | 107 | 418.429 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1BA-1-E | Aldo-keto Reductase Family 1 Member B10 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.35 | Binding ≤ 10μM |
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 36 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1BA_HUMAN | O60218 | Aldo-keto Reductase Family 1 Member B10, Human | 16 | 0.35 | Binding ≤ 1μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 36 | 0.34 | Binding ≤ 1μM |
| AK1BA_HUMAN | O60218 | Aldo-keto Reductase Family 1 Member B10, Human | 16 | 0.35 | Binding ≤ 10μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 36 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis | |
| Retinoid metabolism and transport |
No pre-computed analogs available. Try a structural similarity search.