General Information of the Compound
| Compound ID |
CP0451014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9120756, 26
Show/Hide
|
||||||||||||||||||
| Synonyms |
PMID25666693-Compound-40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClF4N4O3S
|
||||||||||||||||||
| Molecular Weight |
518.92
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
REFSKWWRGFCGDO-LBPRGKRZSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Clinical Information about the Compound
Drug 1 ( PMID25666693-Compound-40 )
| Drug Name | PMID25666693-Compound-40 | ||
|---|---|---|---|
| Company | GRENTHAL GMBH FRANK, Robert BAHRENBERG, Gregor CHRISTOPH, Thomas SCHIENE, Klaus DE VRY, Jean DAMANN, Nils FRORMANN, Sven LESCH, Bernhard LEE, Jeewoo KIM, Yong-Soo KIM, Myeon-Seop | ||
| Indication | |||
| Target(s) | |||