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7-(4-Methoxyphenyl)-6-(4-methyl-3-nitrophenyl)imidazo[2,1-c][1,2,4]triazine

ID: ALA4176408

Chembl Id: CHEMBL4176408

PubChem CID: 145974324

Max Phase: Preclinical

Molecular Formula: C19H15N5O3

Molecular Weight: 361.36

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1ccc(-c2nc3nnccn3c2-c2ccc(C)c([N+](=O)[O-])c2)cc1

Standard InChI: InChI=1S/C19H15N5O3/c1-12-3-4-14(11-16(12)24(25)26)18-17(13-5-7-15(27-2)8-6-13)21-19-22-20-9-10-23(18)19/h3-11H,1-2H3

Standard InChI Key: QFYOPBKPMGZLMN-UHFFFAOYSA-N

SH-SY5Y (11521 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK3 Tchem Mitogen-activated protein kinase; ERK1/ERK2 (651 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EIF2S1 Tchem Eukaryotic translation initiation factor 2 subunit 1 (143 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 361.36	Molecular Weight (Monoisotopic): 361.1175	AlogP: 3.68	#Rotatable Bonds: 4
Polar Surface Area: 95.45	Molecular Species: NEUTRAL	HBA: 7	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 8	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: 2.72	CX LogD: 2.72
Aromatic Rings: 4	Heavy Atoms: 27	QED Weighted: 0.41	Np Likeness Score: -1.49

1. Loubidi M, Jouha J, Tber Z, Khouili M, Suzenet F, Akssira M, Erdogan MA, Köse FA, Dagcı T, Armagan G, Saso L, Guillaumet G.. (2018) Efficient synthesis and first regioselective C-6 direct arylation of imidazo[2,1-c][1,2,4]triazine scaffold and their evaluation in H2O2-induced oxidative stress., 145 [PMID:29324335] [10.1016/j.ejmech.2017.12.081]

Source(1):