| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 21 | No |
Popular Name: Imirestat Imirestat
Find On: PubMed — Wikipedia — Google
CAS Numbers: 89391-50-4 , [89391-50-4]
| 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) | 2.39 | -2.08 | -10 | 2 | 4 | 0 | 58 | 286.237 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 55 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 54.7 | 0.48 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 5 | 0.55 | Binding ≤ 1μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 54.7 | 0.48 | Binding ≤ 10μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 5 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
