ethyl 4-(phenylselanyl)quinoline-2-carboxylate

Names and Identifiers

Canonical SMILES: CCOC(=O)c1cc([Se]c2ccccc2)c2ccccc2n1

Standard InChI: InChI=1S/C18H15NO2Se/c1-2-21-18(20)16-12-17(22-13-8-4-3-5-9-13)14-10-6-7-11-15(14)19-16/h3-12H,2H2,1H3

Standard InChI Key: SPKWDSKCMZSOON-UHFFFAOYSA-N

Molfile:

 
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M  END

Alternative Forms

Parent:

ALA4635812
---

Associated Targets(Human)

SK-MEL-147 (77 Activities)

Explore this target

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

Jurkat (10389 Activities)

Explore this target

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

Associated Targets(non-human)

LMCPB Cysteine proteinase B (11 Activities)

Discover Target: LMCPB

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

Molecule Features

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

Drug Indications

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

Mechanisms of Action

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

Calculated Properties

Molecular Weight: 356.28	Molecular Weight (Monoisotopic): 357.0268	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

References

1. Costa CA, Lopes RM, Ferraz LS, Esteves GNN, Di Iorio JF, Souza AA, de Oliveira IM, Manarin F, Judice WAS, Stefani HA, Rodrigues T.. (2020) Cytotoxicity of 4-substituted quinoline derivatives: Anticancer and antileishmanial potential., 28 (11): [PMID:32336669] [10.1016/j.bmc.2020.115511]

Source

Source(1):

Scientific Literature