Compounds, Active for PubChem BioAssay (Select 1961769) - PubChem Compound - NCBI

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Select item 681652561.

an image of a chemical structure CID 68165256

Brigatinib; 1197953-54-0; ALUNBRIG ...

MW:: 584.100
MF:: C₂₉H₃₉ClN₇O₂P

IUPAC name:: 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[...

Create Date:: 2012-11-30

CID:: 68165256

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

Select item 547585012.

an image of a chemical structure CID 54758501

Olmutinib; 1353550-13-6; HM61713 ...

MW:: 486.600
MF:: C₂₆H₂₆N₆O₂S

IUPAC name:: N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyri...

Create Date:: 2012-01-09

CID:: 54758501

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

Select item 53289403.

an image of a chemical structure CID 5328940

Bosutinib; 380843-75-4; SKI-606 ...

MW:: 530.400
MF:: C₂₆H₂₉Cl₂N₅O₃

IUPAC name:: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpi...

Create Date:: 2006-01-30

CID:: 5328940

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

Select item 4413834.

an image of a chemical structure CID 441383

terconazole; 67915-31-5; Fungistat ...

MW:: 532.500
MF:: C₂₆H₃₁Cl₂N₅O₃

IUPAC name:: 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylm...

Create Date:: 2005-06-24

CID:: 441383

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

Select item 989415.

an image of a chemical structure CID 98941

Ormeloxifene; Cellulose sulfate; 51423-20-2 ...

MW:: 457.600
MF:: C₃₀H₃₅NO₃

IUPAC name:: 1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-...

Create Date:: 2005-03-26

CID:: 98941

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

Select item 779936.

an image of a chemical structure CID 77993

Eletriptan; 143322-58-1; Relpax ...

MW:: 382.500
MF:: C₂₂H₂₆N₂O₂S

IUPAC name:: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-y...

Create Date:: 2005-08-08

CID:: 77993

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

Select item 724747.

an image of a chemical structure CID 72474

Grepafloxacin; 119914-60-2; Raxar ...

MW:: 359.400
MF:: C₁₉H₂₂FN₃O₃

IUPAC name:: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4...

Create Date:: 2005-06-24

CID:: 72474

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

Select item 650158.

an image of a chemical structure CID 65015

Plerixafor; 110078-46-1; Mozobil ...

MW:: 502.800
MF:: C₂₈H₅₄N₈

IUPAC name:: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methy...

Create Date:: 2005-08-01

CID:: 65015

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

Select item 608099.

an image of a chemical structure CID 60809

XANOMELINE; 131986-45-3; 3-(Hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole ...

MW:: 281.420
MF:: C₁₄H₂₃N₃OS

IUPAC name:: 3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thia...

Create Date:: 2005-06-24

CID:: 60809

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

Select item 6079510.

an image of a chemical structure CID 60795

Aripiprazole; 129722-12-9; Abilify ...

MW:: 448.400
MF:: C₂₃H₂₇Cl₂N₃O₂

IUPAC name:: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihyd...

Create Date:: 2005-06-24

CID:: 60795

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

Select item 3404011.

an image of a chemical structure CID 34040

nicergoline; 27848-84-6; Nimergoline ...

MW:: 484.400
MF:: C₂₄H₂₆BrN₃O₃

IUPAC name:: [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro...

Create Date:: 2005-06-24

CID:: 34040

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

Select item 2869312.

an image of a chemical structure CID 28693

metergoline; 17692-51-2; Liserdol ...

MW:: 403.500
MF:: C₂₅H₂₉N₃O₂

IUPAC name:: benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahy...

Create Date:: 2005-06-29

CID:: 28693

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

Select item 1696013.

an image of a chemical structure CID 16960

Dexbrompheniramine; D-Brompheniramine; 132-21-8 ...

MW:: 319.240
MF:: C₁₆H₁₉BrN₂

IUPAC name:: (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-a...

Create Date:: 2005-08-08

CID:: 16960

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

Select item 1105714.

an image of a chemical structure CID 11057

Crystal violet; gentian violet; 548-62-9 ...

MW:: 408.000
MF:: C₂₅H₃₀ClN₃

IUPAC name:: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-di...

Create Date:: 2005-06-24

CID:: 11057

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

Select item 551115.

an image of a chemical structure CID 5511

tolperisone; 728-88-1; Mydeton ...

MW:: 245.360
MF:: C₁₆H₂₃NO

IUPAC name:: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

Create Date:: 2005-03-25

CID:: 5511

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

Select item 488616.

an image of a chemical structure CID 4886

Pramocaine; pramoxine; 140-65-8 ...

MW:: 293.400
MF:: C₁₇H₂₇NO₃

IUPAC name:: 4-[3-(4-butoxyphenoxy)propyl]morpholine

Create Date:: 2004-09-16

CID:: 4886

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

Select item 473517.

an image of a chemical structure CID 4735

pentamidine; 100-33-4; 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide ...

MW:: 340.400
MF:: C₁₉H₂₄N₄O₂

IUPAC name:: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

Create Date:: 2005-03-25

CID:: 4735

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

Select item 363418.

an image of a chemical structure CID 3634

hycanthone; 3105-97-3; Hycanthon ...

MW:: 356.500
MF:: C₂₀H₂₄N₂O₂S

IUPAC name:: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-...

Create Date:: 2005-03-25

CID:: 3634

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

Select item 360119.

an image of a chemical structure CID 3601

Hexafluronium; hexafluorenium; Hexafluorenium ion ...

MW:: 502.700
MF:: C₃₆H₄₂N₂⁺²

IUPAC name:: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl...

Create Date:: 2005-03-25

CID:: 3601

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

Select item 315220.

an image of a chemical structure CID 3152

donepezil; 120014-06-4; 2-((1-Benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one ...

MW:: 379.500
MF:: C₂₄H₂₉NO₃

IUPAC name:: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro...

Create Date:: 2005-03-25

CID:: 3152

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

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Chemical Properties

Rule of 5 (14)
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 (23)
Compounds identified as active in screening experiments

BioAssays, Tested (23)
Compounds identified as tested in screening experiments

Protein 3D Structures (10)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (20)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (2)
Compounds involved in biological pathways

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Compounds, Active for PubChem BioAssay (Select 1961769) (23)
PubChem Compound
Full text in PMC (nucleotide) for Gene (Select 1902) (73)
PMC
lysophosphatidic acid receptor 1 isoform a [Homo sapiens]
lysophosphatidic acid receptor 1 isoform a [Homo sapiens]
gi|1191017835|ref|NP_001338329.1|

Protein
Homo sapiens lysophosphatidic acid receptor 1 (LPAR1), transcript variant 64, mR...
Homo sapiens lysophosphatidic acid receptor 1 (LPAR1), transcript variant 64, mRNA
gi|1914198378|ref|NM_001387509.1|

Nucleotide
Homo sapiens lysophosphatidic acid receptor 1 (LPAR1), transcript variant 66, mR...
Homo sapiens lysophosphatidic acid receptor 1 (LPAR1), transcript variant 66, mRNA
gi|1914210375|ref|NM_001387511.1|

Nucleotide

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