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CHEBI:167670 - SCH772984
| Formula | C33H33N9O2 |
| Net Charge | 0 |
| Average Mass | 587.688 |
| Monoisotopic Mass | 587.27572 |
| SMILES | [H][C@@]1(C(=O)Nc2ccc3nnc(-c4ccncc4)c3c2)CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 |
| InChI | InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1 |
| InChIKey | HDAJDNHIBCDLQF-RUZDIDTESA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24). analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Applications: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SCH772984 (CHEBI:167670) has role analgesic (CHEBI:35480) |
| SCH772984 (CHEBI:167670) has role antineoplastic agent (CHEBI:35610) |
| SCH772984 (CHEBI:167670) has role apoptosis inducer (CHEBI:68495) |
| SCH772984 (CHEBI:167670) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091) |
| SCH772984 (CHEBI:167670) is a N-acylpiperazine (CHEBI:46844) |
| SCH772984 (CHEBI:167670) is a N-alkylpyrrolidine (CHEBI:46775) |
| SCH772984 (CHEBI:167670) is a N-arylpiperazine (CHEBI:46848) |
| SCH772984 (CHEBI:167670) is a biaryl (CHEBI:64459) |
| SCH772984 (CHEBI:167670) is a indazoles (CHEBI:38769) |
| SCH772984 (CHEBI:167670) is a pyridines (CHEBI:26421) |
| SCH772984 (CHEBI:167670) is a pyrimidines (CHEBI:39447) |
| SCH772984 (CHEBI:167670) is a pyrrolidinecarboxamide (CHEBI:46770) |
| SCH772984 (CHEBI:167670) is a secondary carboxamide (CHEBI:140325) |
| SCH772984 (CHEBI:167670) is a tertiary amino compound (CHEBI:50996) |
| SCH772984 (CHEBI:167670) is a tertiary carboxamide (CHEBI:140326) |
| IUPAC Name |
|---|
| (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide |
| Synonyms | Source |
|---|---|
| SCH-772984 | ChEBI |
| SCH 772984 | ChEBI |
| (3R)-1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide | ChEBI |
| Citations |
|---|