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1-(6-(4-fluorophenyl)-5-(pyridin-4-yl)imidazo[2,1-b]thiazol-2-yl)-N,N-dimethylmethanamine

ID: ALA488975

Chembl Id: CHEMBL488975

PubChem CID: 44579350

Max Phase: Preclinical

Molecular Formula: C19H17FN4S

Molecular Weight: 352.44

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CN(C)Cc1cn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2s1

Standard InChI: InChI=1S/C19H17FN4S/c1-23(2)11-16-12-24-18(14-7-9-21-10-8-14)17(22-19(24)25-16)13-3-5-15(20)6-4-13/h3-10,12H,11H2,1-2H3

Standard InChI Key: ZMLAYUNPFXQQKE-UHFFFAOYSA-N

Parent:

ALA488975
1-[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-N,N-dimethylmethanamine

Eimeria tenella (990 Activities)

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

Eimeria acervulina (464 Activities)

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

Eimeria mitis (216 Activities)

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

Eimeria maxima (199 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: 352.44	Molecular Weight (Monoisotopic): 352.1158	AlogP: 4.33	#Rotatable Bonds: 4
Polar Surface Area: 33.43	Molecular Species: NEUTRAL	HBA: 5	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 4	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: 7.90	CX LogP: 3.39	CX LogD: 2.78
Aromatic Rings: 4	Heavy Atoms: 25	QED Weighted: 0.55	Np Likeness Score: -1.58

1. Scribner A, Meitz S, Fisher M, Wyvratt M, Leavitt P, Liberator P, Gurnett A, Brown C, Mathew J, Thompson D, Schmatz D, Biftu T.. (2008) Synthesis and biological activity of anticoccidial agents: 5,6-diarylimidazo[2,1-b][1,3]thiazoles., 18 (19): [PMID:18789686] [10.1016/j.bmcl.2008.08.063]

Source(1):