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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: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. epidermal growth factor receptor antagonist An antagonist at the epidermal growth factor receptor. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. 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). |
| 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 | ChEMBL |
| AEE 788 | ChemIDplus |
| AEE-788 | ChemIDplus |
| AEE788 | ChEMBL |
| Citations |
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