| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 31st, 2007 | 27 | Yes |
Popular Name: N-[1-Methyl-3-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]prop-2-ynyl]acetamide N-[1-Methyl-3-[2-(4-phenoxypheno…
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CAS Number: 903886-81-7
| 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) | 4.42 | -0.05 | -10.32 | 1 | 5 | 0 | 60 | 378.453 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACACA-1-E | Acetyl-CoA Carboxylase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 260 | 0.34 | Binding ≤ 10μM |
| ACACB-1-E | Acetyl-CoA Carboxylase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACACA_HUMAN | Q13085 | Acetyl-CoA Carboxylase 1, Human | 260 | 0.34 | Binding ≤ 1μM |
| ACACB_HUMAN | O00763 | Acetyl-CoA Carboxylase 2, Human | 11 | 0.41 | Binding ≤ 1μM |
| ACACA_HUMAN | Q13085 | Acetyl-CoA Carboxylase 1, Human | 260 | 0.34 | Binding ≤ 10μM |
| ACACB_HUMAN | O00763 | Acetyl-CoA Carboxylase 2, Human | 11 | 0.41 | 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 | |
| Fatty Acyl-CoA Biosynthesis | |
| Import of palmitoyl-CoA into the mitochondrial matrix |
