Bioactive Compound Details
| Compound ID: | B001111 |
| Source ID: | CHEMBL113 |
| Source Type: | Small molecule |
| Compound Name: | CAFFEINE |
| Synonyms: | ANHYDROUS CAFFEINE|CAFFEINE|CAFFEINE ANHYDROUS|CAFFEINE MELTING POINT STANDARD|CAFFEINUM|COFFEINE|COFFEINUM|Cafcit|Caffeine|DURVITAN|FEMA NO. 2224|GUARANINE|METHYLTHEOBROMINE|NODOZ|NSC-5036|NoDoz Caplets and Chewable Tablets|PRO-PLUS|SYNALGOS|THEINE|VIVARIN|YEAST-VITE|ZANTHINE |
| Molecular Formula: | C8H10N4O2 |
| SMILES: | Cn1c(=O)c2c(ncn2C)n(C)c1=O |
| Molecular Species: | NEUTRAL |
| 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 |
| 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 |
| T26 | Thyroid hormone receptor beta | THRB | agonist | Nuclear hormone receptor | P10828 | THB_HUMAN | Details |