General Information of the Compound
| Compound ID |
CP0068085
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| Compound Name |
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
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| Synonyms |
Erivedge (TN)
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide
2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide
25X868M3DS
879085-55-9
AK-77261
C19H14Cl2N2O3S
CHEBI:66903
CHEMBL473417
Erivedge
GDC 0449
GDC-0449
GDC0449
Gdc-0449
HhAntag691
NSC755986
UNII-25X868M3DS
Vismodegib
Vismodegib (GDC-0449)
Vismodegib (SHH inhibitor)
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| Structure |
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| Formula |
C19H14Cl2N2O3S
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| Molecular Weight |
421.305
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
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| InChI |
InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
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| InChIKey |
BPQMGSKTAYIVFO-UHFFFAOYSA-N
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| CAS |
879085-55-9
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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: PT02397, Protein smoothened
Cell-based Assay
Protein ID: PT04361, Protein smoothened
Cell-based Assay
Protein ID: PT02715, Sonic hedgehog protein
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000007 | HT-29 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1080 nM
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Clinical Information about the Compound