[11C]-4-methylamino-phenyl-benzothiazol-6-ol

ID: ALA207456

Chembl Id: CHEMBL207456

Cas Number: 566170-04-5

PubChem CID: 2826731

Max Phase: Phase

Molecular Formula: C14H12N2OS

Molecular Weight: 256.33

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: (11c)pib | Pittsburgh compound b | Pittsburgh compound b c-11 | PIB C-11 | Pittsburgh Compound B|Pittsburgh B|566170-04-5|C-11 PiB|11C-PIB|[11C]PIB|(N-methyl-(11c))2-(4'-methylaminophenyl)-6-hydroxybenzothiazole|UNII-7P55415B0R|7P55415B0R|Pittsburgh compound b c-11|PIB C-11|2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole|(11C)PIB|2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol|[11C]Pittsburgh Compound-B|CHEMBL207456|SCHEMBL2055285|DTXSID00205194|[11C]6-OH-BTA-1|[11C]-6-OH-BTA-1|DB15161|QShow More

Canonical SMILES:  [11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1

Standard InChI:  InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1

Standard InChI Key:  ZQAQXZBSGZUUNL-BJUDXGSMSA-N

Associated Targets(Human)

APP Tclin Amyloid-beta A4 protein (8510 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPT Tclin Microtubule-associated protein tau (95507 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kidney (1278 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (8163 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lung (1108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heart (1016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Intestine (514 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stomach (551 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cerebellum (165 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (1764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (6361 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (4203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (280 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: YesAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 256.33Molecular Weight (Monoisotopic): 256.0670AlogP: 3.71#Rotatable Bonds: 2
Polar Surface Area: 45.15Molecular Species: NEUTRALHBA: 4HBD: 2
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): 0
CX Acidic pKa: 9.23CX Basic pKa: 3.65CX LogP: 3.31CX LogD: 3.30
Aromatic Rings: 3Heavy Atoms: 18QED Weighted: 0.73Np Likeness Score: -1.28

References

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24. Unpublished dataset, 
25.  (2013)  In vivo imaging of sulfotransferases,