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N-[(5-Methoxy-1H-3-indolyl)methyl]-[3-methoxy-4-(5-oxazolyl)phenyl]amine

ID: ALA2435812

Chembl Id: CHEMBL2435812

PubChem CID: 71737147

Max Phase: Preclinical

Molecular Formula: C20H19N3O3

Molecular Weight: 349.39

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1ccc2[nH]cc(CNc3ccc(-c4cnco4)c(OC)c3)c2c1

Standard InChI: InChI=1S/C20H19N3O3/c1-24-15-4-6-18-17(8-15)13(10-23-18)9-22-14-3-5-16(19(7-14)25-2)20-11-21-12-26-20/h3-8,10-12,22-23H,9H2,1-2H3

Standard InChI Key: GAWYDONJBNILPG-UHFFFAOYSA-N

Parent:

ALA2435812
3-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]-4-oxazol-5-yl-aniline

Coxsackievirus B6 (58 Activities)

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

Coxsackievirus B3 (1096 Activities)

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

Vero (26788 Activities)

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

Hepatitis C virus (23859 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: 349.39	Molecular Weight (Monoisotopic): 349.1426	AlogP: 4.45	#Rotatable Bonds: 6
Polar Surface Area: 72.31	Molecular Species: NEUTRAL	HBA: 5	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: 2.55	CX LogP: 2.46	CX LogD: 2.46
Aromatic Rings: 4	Heavy Atoms: 26	QED Weighted: 0.54	Np Likeness Score: -0.73

1. Zhong ZJ, Zhang DJ, Peng ZG, Li YH, Shan GZ, Zuo LM, Wu LT, Li SY, Gao RM, Li ZR.. (2013) Synthesis and antiviral activity of a novel class of (5-oxazolyl)phenyl amines., 69 [PMID:23999140] [10.1016/j.ejmech.2013.07.053]

Source(1):