| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2010 | 29 | Yes |
Popular Name: Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 1'-(1H-indazol-7-ylcarbonyl)-6,7-dimethyl- Spiro[2H-1-benzopyran-2,4'-piper…
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CAS Number: 1031413-43-0
| 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) | 3.10 | 8.91 | -16.67 | 1 | 6 | 0 | 75 | 389.455 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACACA-1-E | Acetyl-CoA Carboxylase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 163 | 0.33 | Binding ≤ 10μM |
| ACACB-1-E | Acetyl-CoA Carboxylase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACACA_RAT | P11497 | Acetyl-CoA Carboxylase 1, Rat | 163 | 0.33 | Binding ≤ 1μM |
| ACACB_HUMAN | O00763 | Acetyl-CoA Carboxylase 2, Human | 400 | 0.31 | Binding ≤ 1μM |
| ACACA_RAT | P11497 | Acetyl-CoA Carboxylase 1, Rat | 163 | 0.33 | Binding ≤ 10μM |
| ACACB_HUMAN | O00763 | Acetyl-CoA Carboxylase 2, Human | 400 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Biotin transport and metabolism | |
| ChREBP activates metabolic gene expression | |
| Defective HLCS causes multiple carboxylase deficiency | |
| Import of palmitoyl-CoA into the mitochondrial matrix |
No pre-computed analogs available. Try a structural similarity search.