General Information of the Compound
| Compound ID |
CP0012720
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| Compound Name |
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
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| Synonyms |
((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid
(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid
50892-23-4
Acetic acid, ((4-chloro-6-(
Acide pirinixique [INN-French]
Acido pirinixico [INN-Spanish]
Acidum pirinixicum [INN-Latin]
BRN 0759945
C14H14ClN3O2S
CCRIS 133
NSC 310038
NSC-310038
NSC310038
PIRINIXIC ACID
Pirinixic acid
Pirinixic acid [INN]
UNII-86C4MRT55A
WY-14,643
WY-14643
WY-14643 (Pirinixic Acid)
WY14643
Wy 14643
Wyeth 14,643
[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
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| Structure |
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| Formula |
C14H14ClN3O2S
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| Molecular Weight |
323.805
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| Canonical SMILES |
Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
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| InChI |
InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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| InChIKey |
SZRPDCCEHVWOJX-UHFFFAOYSA-N
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| CAS |
50892-23-4
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Protein ID: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Clinical Information about the Compound