| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 24 | Yes |
Popular Name: 9-Benzyl-7-chloro-6-fluoro-1H,9H-2-oxa-1,9-diaza-cyclopenta[b]naphthalene-3,4-dione 9-Benzyl-7-chloro-6-fluoro-1H,9H…
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CAS Number: 1082203-83-5
| 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) | 2.95 | 9.63 | -46.69 | 0 | 5 | -1 | 71 | 343.721 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 37 | 0.43 | Binding ≤ 10μM |
| PIM2-1-E | Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 558 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 36.5 | 0.43 | Binding ≤ 1μM |
| PIM2_HUMAN | Q9P1W9 | Serine/threonine-protein Kinase PIM2, Human | 558 | 0.36 | Binding ≤ 1μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 36.5 | 0.43 | Binding ≤ 10μM |
| PIM2_HUMAN | Q9P1W9 | Serine/threonine-protein Kinase PIM2, Human | 558 | 0.36 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.