Bioactive Compound Details
| Compound ID: | B143165 |
| Source ID: | CHEMBL547 |
| Source Type: | Small molecule |
| Compound Name: | ISOTRETINOIN |
| Synonyms: | 13 Cis-Retinoic Acid|13-CIS-RETINOIC ACID|ABSORICA|ABSORICA LD|Accutane|Amnesteem|Claravis|ISOTRETINOIN|ISOTREX|MYORISAN|NSC-758156|PAT-001|RETINOIC ACID 13-CIS-FORM|RETINOIC ACID, 13-CIS-|RO 4-3780|RO-4-3780|RO-43780|ROACCUTANE|Sotret|VITAMIN A ACID, 13-CIS|ZENATANE |
| Molecular Formula: | C20H28O2 |
| SMILES: | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1 |
| Molecular Species: | ACID |
| Target ID | Target Name | GENE | Action | Class | UniProtKB ID | Entry Name | |
|---|---|---|---|---|---|---|---|
| T15 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | HMGCR | inhibitor | Enzyme | P04035 | HMDH_HUMAN | Details |
| T07 | Bile acid receptor | NR1H4 | agonist | Nuclear hormone receptor | Q96RI1 | NR1H4_HUMAN | Details |
| T10 | Caspase-1 | CASP1 | inhibitor | Enzyme | P29466 | CASP1_HUMAN | Details |
| T24 | C-C chemokine receptor type 2 | CCR2 | antagonist | GPCR | P41597 | CCR2_HUMAN | Details |
| T25 | C-C chemokine receptor type 5 | CCR5 | antagonist | GPCR | P51681 | CCR5_HUMAN | Details |
| T17 | Farnesoid X-activated receptor | NR1H4 | agonist | Nuclear hormone receptor | Q96RI1 | NR1H4_HUMAN | Details |
| T20 | Fatty acid synthase | FASN | inhibitor | Enzyme | P49327 | FAS_HUMAN | Details |
| T26 | Thyroid hormone receptor beta | THRB | agonist | Nuclear hormone receptor | P10828 | THB_HUMAN | Details |