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CHEBI:747917 - tacrolimus anhydrous
| Formula | C44H69NO12 |
| Net Charge | 0 |
| Average Mass | 804.031 |
| Monoisotopic Mass | 803.48198 |
| SMILES | [H][C@@]12O[C@@](O)(C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)/C=C(\C)C[C@H](C)C[C@@H]1OC)[C@H](C)C[C@@H]2OC |
| InChI | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 |
| InChIKey | QJJXYPPXXYFBGM-LFZNUXCKSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antiviral agent A substance that destroys or inhibits replication of viruses. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. nephroprotective agent Any protective agent that is able to prevent damage to the kidney. anti-asthmatic agent Any compound that has anti-asthmatic effects. renoprotective agent Any compound that is able to prevent damage to the kidneys. hypoglycemic agent A drug which lowers the blood glucose level. antipsoriatic A drug used to treat psoriasis. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. vulnerary A drug used in treating and healing of wounds. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antifibrotic agent Any agent which acts to reduce fibrosis. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antirheumatic drug A drug used to treat rheumatoid arthritis. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tacrolimus anhydrous (CHEBI:747917) has role anti-anaemic agent (CHEBI:75835) |
| tacrolimus anhydrous (CHEBI:747917) has role anti-asthmatic agent (CHEBI:65023) |
| tacrolimus anhydrous (CHEBI:747917) has role anti-inflammatory agent (CHEBI:67079) |
| tacrolimus anhydrous (CHEBI:747917) has role antifibrotic agent (CHEBI:233423) |
| tacrolimus anhydrous (CHEBI:747917) has role antifungal agent (CHEBI:35718) |
| tacrolimus anhydrous (CHEBI:747917) has role antihypertensive agent (CHEBI:35674) |
| tacrolimus anhydrous (CHEBI:747917) has role antiinfective agent (CHEBI:35441) |
| tacrolimus anhydrous (CHEBI:747917) has role antineoplastic agent (CHEBI:35610) |
| tacrolimus anhydrous (CHEBI:747917) has role antipsoriatic (CHEBI:50748) |
| tacrolimus anhydrous (CHEBI:747917) has role antirheumatic drug (CHEBI:35842) |
| tacrolimus anhydrous (CHEBI:747917) has role antiviral agent (CHEBI:22587) |
| tacrolimus anhydrous (CHEBI:747917) has role cardiovascular drug (CHEBI:35554) |
| tacrolimus anhydrous (CHEBI:747917) has role dermatologic drug (CHEBI:50177) |
| tacrolimus anhydrous (CHEBI:747917) has role hypoglycemic agent (CHEBI:35526) |
| tacrolimus anhydrous (CHEBI:747917) has role immunosuppressive agent (CHEBI:35705) |
| tacrolimus anhydrous (CHEBI:747917) has role nephroprotective agent (CHEBI:76595) |
| tacrolimus anhydrous (CHEBI:747917) has role ophthalmology drug (CHEBI:66981) |
| tacrolimus anhydrous (CHEBI:747917) has role renoprotective agent (CHEBI:231911) |
| tacrolimus anhydrous (CHEBI:747917) has role vulnerary (CHEBI:73336) |
| tacrolimus anhydrous (CHEBI:747917) is a peptide (CHEBI:16670) |
| Synonyms | Source |
|---|---|
| 104987-11-3 | ChEMBL |
| Prograph | ChEMBL |
| Tacro | ChEMBL |
| Tacrolimus, anhydrous | ChEMBL |
| Citations |
|---|