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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 |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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). antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. 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. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. chemokine receptor 5 antagonist An antogonist that blocks chemokine receptor 5 (CCR5). calmodulin antagonist An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin. 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. S100 calcium-binding protein B inhibitor Any inhibitor of S100 calcium-binding protein B. |
| Applications: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. renoprotective agent Any compound that is able to prevent damage to the kidneys. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. hypoglycemic agent A drug which lowers the blood glucose level. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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 antiinfective agent (CHEBI:35441) |
| pentamidine (CHEBI:45081) has role antileishmanial agent (CHEBI:70868) |
| pentamidine (CHEBI:45081) has role antineoplastic agent (CHEBI:35610) |
| 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 hypoglycemic agent (CHEBI:35526) |
| pentamidine (CHEBI:45081) has role NMDA receptor antagonist (CHEBI:60643) |
| pentamidine (CHEBI:45081) has role renoprotective agent (CHEBI:231911) |
| 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 |
| INNs | Source |
|---|---|
| pentamidina | WHO MedNet |
| pentamidine | KEGG DRUG |
| Synonyms | Source |
|---|---|
| 1,5-bis(4-amidinophenoxy)pentane | ChEBI |
| 4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide | ChemIDplus |
| 4,4'-Diamidinodiphenoxypentane | DrugBank |
| 4,4'-(pentamethylenedioxy)dibenzamidine | ChemIDplus |
| p,p'-(pentamethylenedioxy)dibenzamidine | ChemIDplus |
| GNF-Pf-3680 | ChEMBL |
| Brand Name | Source |
|---|---|
| Pentacarinat | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 2090 | DrugCentral |
| C07420 | KEGG COMPOUND |
| D08333 | KEGG DRUG |
| DB00738 | DrugBank |
| EP975608 | Patent |
| GB507565 | Patent |
| HMDB0014876 | HMDB |
| LSM-4540 | LINCS |
| Pentamidine | Wikipedia |
| PNT | PDBeChem |
| US2006235001 | Patent |
| US2008167296 | Patent |
| US2008214569 | Patent |
| US2394003 | Patent |
| US7115665 | Patent |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3159790 | Beilstein |
| Reaxys:3159790 | Reaxys |
| CAS:100-33-4 | KEGG COMPOUND |
| CAS:100-33-4 | ChemIDplus |
| Citations |
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