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Compounds
ALA523453

6-(4-fluorophenyl)-2-((4-methylpiperazin-1-yl)methyl)-5-(pyrimidin-4-yl)imidazo[2,1-b]thiazole

ID: ALA523453

Chembl Id: CHEMBL523453

PubChem CID: 44579349

Max Phase: Preclinical

Molecular Formula: C21H21FN6S

Molecular Weight: 408.51

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CN1CCN(Cc2cn3c(-c4ccncn4)c(-c4ccc(F)cc4)nc3s2)CC1

Standard InChI: InChI=1S/C21H21FN6S/c1-26-8-10-27(11-9-26)12-17-13-28-20(18-6-7-23-14-24-18)19(25-21(28)29-17)15-2-4-16(22)5-3-15/h2-7,13-14H,8-12H2,1H3

Standard InChI Key: FGXOWMMGBPGWLS-UHFFFAOYSA-N

Alternative Forms

Parent:

ALA523453
6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole

Associated Targets(non-human)

Eimeria tenella (990 Activities)

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

Eimeria acervulina (464 Activities)

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

Eimeria mitis (216 Activities)

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

Eimeria maxima (199 Activities)

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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: Small molecule	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: 408.51	Molecular Weight (Monoisotopic): 408.1532	AlogP: 3.41	#Rotatable Bonds: 4
Polar Surface Area: 49.56	Molecular Species: NEUTRAL	HBA: 7	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: 7.36	CX LogP: 2.92	CX LogD: 2.64
Aromatic Rings: 4	Heavy Atoms: 29	QED Weighted: 0.52	Np Likeness Score: -1.80

References

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

Source(1):

Scientific Literature