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6-Hydroxy-2-(4'-fluorophenyl)-1,3-benzothiazole

ID: ALA490084

Chembl Id: CHEMBL490084

PubChem CID: 16734166

Max Phase: Preclinical

Molecular Formula: C13H8FNOS

Molecular Weight: 245.28

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Oc1ccc2nc(-c3ccc(F)cc3)sc2c1

Standard InChI: InChI=1S/C13H8FNOS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H

Standard InChI Key: AMGGIBWEIGCKRZ-UHFFFAOYSA-N

Parent:

ALA490084
2-(4-Fluorophenyl)-6-hydroxybenzothiazole
Alternative Forms:

ALA490084
2-(4-(18F)fluoranylphenyl)-1,3-benzothiazol-6-ol

APP Tclin Amyloid-beta A4 protein (8510 Activities)

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

SULT1A1 Tchem Sulfotransferase 1A1 (111 Activities)

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

SULT1E1 Tchem Estrogen sulfotransferase (185 Activities)

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

SULT2A1 Tbio Alcohol sulfotransferase (89 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: 245.28	Molecular Weight (Monoisotopic): 245.0311	AlogP: 3.81	#Rotatable Bonds: 1
Polar Surface Area: 33.12	Molecular Species: NEUTRAL	HBA: 3	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 2	HBD (Lipinski): 1	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 9.23	CX Basic pKa: 2.33	CX LogP: 3.98	CX LogD: 3.97
Aromatic Rings: 3	Heavy Atoms: 17	QED Weighted: 0.71	Np Likeness Score: -1.75

1. Serdons K, Terwinghe C, Vermaelen P, Van Laere K, Kung H, Mortelmans L, Bormans G, Verbruggen A.. (2009) Synthesis and evaluation of 18F-labeled 2-phenylbenzothiazoles as positron emission tomography imaging agents for amyloid plaques in Alzheimer's disease., 52 (5): [PMID:19216563] [10.1021/jm8013376]
2. (2013) In vivo imaging of sulfotransferases,

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