| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 26 | Yes |
Popular Name: TTNPB TTNPB
Find On: PubMed — Wikipedia — Google
CAS Numbers: 71441-28-6 , [71441-28-6]
(E)-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylenyl)-1 -propenyl] benzoic acid
71441-28-6; Arotinoid acid; C15634; Ro 13-7410; TTNPB
| 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) | 6.92 | 14.62 | -49 | 0 | 2 | -1 | 40 | 347.478 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.44e-04 g/l | DrugBank-experimental |
| Target | Others | Selleck Chemicals |
| Target | Retinoid Receptor | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 85 | 0.38 | Binding ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.44 | Binding ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.45 | Binding ≤ 10μM |
| RXRA-1-E | Retinoid X Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.41 | Functional ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.46 | Functional ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.47 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80135-1-O | F9 (cluster #1 Of 1), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 200 | 0.36 | Binding ≤ 1μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 0.5 | 0.50 | Binding ≤ 1μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 2 | 0.47 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 200 | 0.36 | Binding ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 0.5 | 0.50 | Binding ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 2 | 0.47 | Binding ≤ 10μM |
| RXRA_HUMAN | P19793 | Retinoid X Receptor Alpha, Human | 10000 | 0.27 | Binding ≤ 10μM |
| Z80135 | Z80135 | F9 | 0.78 | 0.49 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 0.1 | 0.54 | Functional ≤ 10μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 30 | 0.41 | Functional ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 3 | 0.46 | Functional ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 2 | 0.47 | Functional ≤ 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 |
