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CHEBI:45081 - pentamidine
| Formula | C19H24N4O2 |
| Net Charge | 0 |
| Average Mass | 340.427 |
| Monoisotopic Mass | 340.18993 |
| SMILES | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 |
| InChI | InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
| InChIKey | XDRYMKDFEDOLFX-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. S100 calcium-binding protein B inhibitor Any inhibitor of S100 calcium-binding protein B. calmodulin antagonist An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin. chemokine receptor 5 antagonist An antogonist that blocks chemokine receptor 5 (CCR5). xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. NMDA receptor antagonist Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. EC 2.3.1.48 (histone acetyltransferase) inhibitor An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the function of histone acetyltransferase (EC 2.3.1.48). |
| Applications: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentamidine (CHEBI:45081) has role anti-inflammatory agent (CHEBI:67079) |
| pentamidine (CHEBI:45081) has role antifungal agent (CHEBI:35718) |
| pentamidine (CHEBI:45081) has role calmodulin antagonist (CHEBI:130181) |
| pentamidine (CHEBI:45081) has role chemokine receptor 5 antagonist (CHEBI:63673) |
| pentamidine (CHEBI:45081) has role EC 2.3.1.48 (histone acetyltransferase) inhibitor (CHEBI:76395) |
| pentamidine (CHEBI:45081) has role NMDA receptor antagonist (CHEBI:60643) |
| pentamidine (CHEBI:45081) has role S100 calcium-binding protein B inhibitor (CHEBI:136651) |
| pentamidine (CHEBI:45081) has role trypanocidal drug (CHEBI:36335) |
| pentamidine (CHEBI:45081) has role xenobiotic (CHEBI:35703) |
| pentamidine (CHEBI:45081) is a aromatic ether (CHEBI:35618) |
| pentamidine (CHEBI:45081) is a carboxamidine (CHEBI:35359) |
| pentamidine (CHEBI:45081) is a diether (CHEBI:46786) |
| pentamidine (CHEBI:45081) is conjugate base of pentamidinium(2+) (CHEBI:64383) |
| Incoming Relation(s) |
| pentamidinium(2+) (CHEBI:64383) is conjugate acid of pentamidine (CHEBI:45081) |
| IUPAC Name |
|---|
| 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide |
| INN | Source |
|---|---|
| pentamidine | KEGG DRUG |
| Synonyms | Source |
|---|---|
| Pentamidine | KEGG COMPOUND |
| 4,4'-(pentamethylenedioxy)dibenzamidine | ChemIDplus |
| 4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide | ChemIDplus |
| p,p'-(pentamethylenedioxy)dibenzamidine | ChemIDplus |
| 1,5-bis(4-amidinophenoxy)pentane | ChEBI |
| 4,4'-Diamidinodiphenoxypentane | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| C07420 | KEGG COMPOUND |
| PNT | PDBeChem |
| Pentamidine | Wikipedia |
| D08333 | KEGG DRUG |
| DB00738 | DrugBank |
| EP975608 | Patent |
| US2006235001 | Patent |
| US2008167296 | Patent |
| GB507565 | Patent |
| US2394003 | Patent |
| US2008214569 | Patent |
| US7115665 | Patent |
| HMDB0014876 | HMDB |
| LSM-4540 | LINCS |
| 2090 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3159790 | Beilstein |
| Reaxys:3159790 | Reaxys |
| CAS:100-33-4 | KEGG COMPOUND |
| CAS:100-33-4 | ChemIDplus |
| Citations |
|---|