EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H23N7O2 |
| Net Charge | 0 |
| Average Mass | 381.440 |
| Monoisotopic Mass | 381.19132 |
| SMILES | O=C(Nc1cnnc1-c1nc2ccc(CN3CCOCC3)cc2n1)NC1CC1 |
| InChI | InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27) |
| InChIKey | LOLPPWBBNUVNQZ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | Aurora kinase inhibitor Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation). EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| AT9283 (CHEBI:125514) has role antineoplastic agent (CHEBI:35610) |
| AT9283 (CHEBI:125514) has role apoptosis inducer (CHEBI:68495) |
| AT9283 (CHEBI:125514) has role Aurora kinase inhibitor (CHEBI:70770) |
| AT9283 (CHEBI:125514) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617) |
| AT9283 (CHEBI:125514) is a benzimidazoles (CHEBI:22715) |
| AT9283 (CHEBI:125514) is a cyclopropanes (CHEBI:51454) |
| AT9283 (CHEBI:125514) is a morpholines (CHEBI:38785) |
| AT9283 (CHEBI:125514) is a pyrazoles (CHEBI:26410) |
| AT9283 (CHEBI:125514) is a ureas (CHEBI:47857) |
| IUPAC Name |
|---|
| 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea |
| Synonyms | Source |
|---|---|
| 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea | ChEBI |
| AT 9283 | ChEBI |
| AT-9283 | ChEBI |
| N-cyclopropyl-N'-[3-[6-(4-morpholinylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-urea | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 21437042 | ChemSpider |
| 35R | PDBeChem |
| DB05169 | DrugBank |
| HMDB0248690 | HMDB |
| LSM-37023 | LINCS |
| Registry Numbers | Sources |
|---|---|
| CAS:896466-04-9 | ChEBI |
| Citations |
|---|