| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 26 | Yes |
4-(((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)amino)carbonyl)benzoic acid
4-((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthale n-2-yl)carbamoyl)benzoic acid
4-((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoic acid
4-((5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl)benzoic acid
4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
94497-51-5; Am 80; Amnoid (TN); D01418; Tamibarotene (JAN/INN)
Am 80; Tamibarotene; retinobenzoic acid
Benzoic acid, 4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino)carbonyl)-
N-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl)-2-naphthyl)terephthalamic acid
N-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)terephthalamic acid
Terephthalic acid mono-5,5,8,8-tetramethyl- 5,6,7, 8-tetrahydro-2-naphthylamide
Terephthalic acid mono-5,5,8,8-tetramethyl- 5,6,7,8-tetrahydro-2-naphthylamide
| 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) | 5.37 | 11.24 | -48.38 | 1 | 4 | -1 | 69 | 350.438 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.75e-04 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | 78 | 0.38 | Binding ≤ 10μM |
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.44 | Functional ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.41 | Functional ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 591 | 0.34 | Functional ≤ 10μM |
| Z80156-4-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #4 Of 12), Other | Other | 6000 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 78 | 0.38 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 78 | 0.38 | Binding ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 6000 | 0.28 | Functional ≤ 10μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 45 | 0.40 | Functional ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 235 | 0.36 | Functional ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 591 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
