CHEBI:90625 - 5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

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ChEBI Name 5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
ChEBI ID CHEBI:90625
ChEBI ASCII Name 5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Definition An imidazopyridine that is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine in which the amino hydrogen is replaced by a 5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl group. A potent inhibitor of AKT1 kinase.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
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Formula C12H11ClN6
Net Charge 0
Average Mass 274.709
Monoisotopic Mass 274.07337
InChI InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)
InChIKey YFFJXGRXFASBDL-UHFFFAOYSA-N
SMILES C12=C(C(Cl)=CN1)C(=NC=N2)N3CC4=C(CC3)NC=N4
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): AKT1 kinase inhibitor
A serine/threonine kinase inhibitor that specifically inhibits RAC-alpha serine/threonine-protein kinase (ATK1).
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ChEBI Ontology
Outgoing 5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) has role AKT1 kinase inhibitor (CHEBI:90780)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a aromatic amine (CHEBI:33860)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a imidazopyridine (CHEBI:46908)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a organochlorine compound (CHEBI:36683)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a pyrrolopyrimidine (CHEBI:38670)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a tertiary amino compound (CHEBI:50996)
IUPAC Names
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Manual Xrefs Databases
CQW PDBeChem
DB07585 DrugBank
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Registry Number Type Source
25078043 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18456494 PubMed citation Europe PMC
Last Modified
14 July 2016