Compounds, activity concentration at/below 1 uM for PubChem BioAssay ( - PubChem Compound - NCBI

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Items: 13

Select item 445915831.

an image of a chemical structure CID 44591583

906673-24-3; Crisaborole; AN-2728 ...

MW:: 251.050
MF:: C₁₄H₁₀BNO₃

IUPAC name:: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile

Create Date:: 2010-01-26

CID:: 44591583

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 167228362.

an image of a chemical structure CID 16722836

Fedratinib; 936091-26-8; Tg-101348 ...

MW:: 524.700
MF:: C₂₇H₃₆N₆O₃S

IUPAC name:: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anil...

Create Date:: 2007-09-03

CID:: 16722836

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 115616743.

an image of a chemical structure CID 11561674

Apremilast; 608141-41-9; OTEZLA ...

MW:: 460.500
MF:: C₂₂H₂₄N₂O₇S

IUPAC name:: N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethy...

Create Date:: 2006-10-26

CID:: 11561674

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 52824524.

an image of a chemical structure CID 5282452

Pitavastatin; Itavastatin; 147511-69-1 ...

MW:: 421.500
MF:: C₂₅H₂₄FNO₄

IUPAC name:: (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-...

Create Date:: 2005-10-11

CID:: 5282452

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 4491935.

an image of a chemical structure CID 449193

Roflumilast; 162401-32-3; DAXAS ...

MW:: 403.200
MF:: C₁₇H₁₄Cl₂F₂N₂O₃

IUPAC name:: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(diflu...

Create Date:: 2005-06-24

CID:: 449193

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 1191826.

an image of a chemical structure CID 119182

Clofarabine; 123318-82-1; Clolar ...

MW:: 303.680
MF:: C₁₀H₁₁ClFN₅O₃

IUPAC name:: (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hyd...

Create Date:: 2005-08-08

CID:: 119182

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 346337.

an image of a chemical structure CID 34633

MORICIZINE; Moracizine; 31883-05-3 ...

MW:: 427.500
MF:: C₂₂H₂₅N₃O₄S

IUPAC name:: ethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]car...

Create Date:: 2005-06-24

CID:: 34633

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 315088.

an image of a chemical structure CID 31508

PROQUAZONE; 22760-18-5; Arthrex ...

MW:: 278.300
MF:: C₁₈H₁₈N₂O

IUPAC name:: 7-methyl-4-phenyl-1-propan-2-ylquinazolin-2-one

Create Date:: 2005-08-08

CID:: 31508

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 202799.

an image of a chemical structure CID 20279

Cladribine; 2-Chloro-2'-deoxyadenosine; 4291-63-8 ...

MW:: 285.690
MF:: C₁₀H₁₂ClN₅O₃

IUPAC name:: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)o...

Create Date:: 2005-06-24

CID:: 20279

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 873010.

an image of a chemical structure CID 8730

D-Thyroxine; Dextrothyroxine; 51-49-0 ...

MW:: 776.870
MF:: C₁₅H₁₁I₄NO₄

IUPAC name:: (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodoph...

Create Date:: 2004-09-16

CID:: 8730

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 468011.

an image of a chemical structure CID 4680

papaverine; Papaverin; 58-74-2 ...

MW:: 339.400
MF:: C₂₀H₂₁NO₄

IUPAC name:: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline

Create Date:: 2005-03-25

CID:: 4680

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 367112.

an image of a chemical structure CID 3671

ibudilast; 50847-11-5; Ketas ...

MW:: 230.310
MF:: C₁₄H₁₈N₂O

IUPAC name:: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-...

Create Date:: 2005-03-25

CID:: 3671

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 347413.

an image of a chemical structure CID 3474

glafenine; 3820-67-5; Glaphenine ...

MW:: 372.800
MF:: C₁₉H₁₇ClN₂O₄

IUPAC name:: 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate

Create Date:: 2005-03-25

CID:: 3474

Summary Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

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Chemical Properties

Rule of 5 (10)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (13)
Compounds identified as active in screening experiments

BioAssays, Tested (13)
Compounds identified as tested in screening experiments

Protein 3D Structures (9)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (9)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (1)
Compounds involved in biological pathways

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Rett syndrome, congenital variant
Rett syndrome, congenital variant

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