| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 26 | Yes |
Popular Name: (2E,4E)-6-[1-(3,5-ditert-butylphenyl)cyclopropyl]-3-methyl-hexa-2,4-dienoic (2E,4E)-6-[1-(3,5-ditert-butylph…
None
| 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) | 6.80 | 14.54 | -52.8 | 0 | 2 | -1 | 40 | 353.526 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6005007; WO2000026173A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 733 | 0.33 | Binding ≤ 10μM |
| RARB-2-E | Retinoic Acid Receptor Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 139 | 0.37 | Binding ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 391 | 0.35 | Binding ≤ 10μM |
| RXRA-1-E | Retinoid X Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.41 | Binding ≤ 10μM |
| RXRB-2-E | Retinoid X Receptor Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.44 | Binding ≤ 10μM |
| RXRG-1-E | Retinoid X Receptor Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 733 | 0.33 | Binding ≤ 1μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 139 | 0.37 | Binding ≤ 1μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 391 | 0.35 | Binding ≤ 1μM |
| RXRA_HUMAN | P19793 | Retinoid X Receptor Alpha, Human | 3 | 0.46 | Binding ≤ 1μM |
| RXRB_MOUSE | P28704 | Retinoid X Receptor Beta, Mouse | 19 | 0.42 | Binding ≤ 1μM |
| RXRG_HUMAN | P48443 | Retinoid X Receptor Gamma, Human | 16 | 0.42 | Binding ≤ 1μM |
| RXRG_MOUSE | P28705 | Retinoid X Receptor Gamma, Mouse | 23 | 0.41 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 733 | 0.33 | Binding ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 139 | 0.37 | Binding ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 391 | 0.35 | Binding ≤ 10μM |
| RXRA_HUMAN | P19793 | Retinoid X Receptor Alpha, Human | 3 | 0.46 | Binding ≤ 10μM |
| RXRB_MOUSE | P28704 | Retinoid X Receptor Beta, Mouse | 19 | 0.42 | Binding ≤ 10μM |
| RXRG_HUMAN | P48443 | Retinoid X Receptor Gamma, Human | 16 | 0.42 | Binding ≤ 10μM |
| RXRG_MOUSE | P28705 | Retinoid X Receptor Gamma, Mouse | 23 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Circadian Clock | |
| Endogenous sterols | |
| Import of palmitoyl-CoA into the mitochondrial matrix | |
| Nuclear Receptor transcription pathway | |
| PPARA activates gene expression | |
| Recycling of bile acids and salts | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| Regulation of pyruvate dehydrogenase (PDH) complex | |
| REV-ERBA represses gene expression | |
| RORA activates circadian gene expression | |
| Synthesis of bile acids and bile salts | |
| Synthesis of bile acids and bile salts via 27-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol | |
| Transcriptional activation of mitochondrial biogenesis | |
| Transcriptional regulation of white adipocyte differentiation | |
| YAP1- and WWTR1 (TAZ)-stimulated gene expression |
