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CHEBI:40629 - AEE788
| Formula | C27H32N6 |
| Net Charge | 0 |
| Average Mass | 440.595 |
| Monoisotopic Mass | 440.26885 |
| SMILES | CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4n3)cc2)CC1 |
| InChI | InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1 |
| InChIKey | OONFNUWBHFSNBT-HXUWFJFHSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1). epidermal growth factor receptor antagonist An antagonist at the epidermal growth factor receptor. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| AEE788 (CHEBI:40629) has role angiogenesis inhibitor (CHEBI:48422) |
| AEE788 (CHEBI:40629) has role antineoplastic agent (CHEBI:35610) |
| AEE788 (CHEBI:40629) has role apoptosis inducer (CHEBI:68495) |
| AEE788 (CHEBI:40629) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) |
| AEE788 (CHEBI:40629) has role epidermal growth factor receptor antagonist (CHEBI:74440) |
| AEE788 (CHEBI:40629) has role trypanocidal drug (CHEBI:36335) |
| AEE788 (CHEBI:40629) is a 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CHEBI:170005) |
| IUPAC Name |
|---|
| 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Synonyms | Source |
|---|---|
| 6-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine | ChEBI |
| [6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-((R)-1-phenylethyl)amine | ChEBI |
| AEE 788 | ChemIDplus |
| AEE-788 | ChemIDplus |
| NVP-AEE-788 | DrugBank |
| NVP-AEE788 | ChemIDplus |
| Citations |
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