CHEBI:167670 - SCH772984

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ChEBI Name SCH772984
ChEBI ID CHEBI:167670
Definition A member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
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Formula C33H33N9O2
Net Charge 0
Average Mass 587.688
Monoisotopic Mass 587.27572
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
SMILES [H][C@]1(CCN(CC(=O)N2CCN(CC2)C2=CC=C(C=C2)C2=NC=CC=N2)C1)C(=O)NC1=CC2=C(NN=C2C2=CC=NC=C2)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3R)-1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide ChEBI
SCH 772984 ChEBI
SCH-772984 ChEBI
Manual Xrefs Databases
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F3Z PDBeChem
LSM-45224 LINCS
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Registry Number Type Source
942183-80-4 CAS Registry Number ChEBI
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Last Modified
24 March 2021