General Information of the Compound
| Compound ID |
CP0059908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4S,7R)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
Azepan-3-one compound 10
BL51M8CB8R
CHEMBL203665
GSK-462795
N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
Relacatib
Relacatib (USAN/INN)
Relacatib [USAN:INN]
SB-462795
UNII-BL51M8CB8R
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N4O6S
|
||||||||||||||||||
| Molecular Weight |
540.642
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWYBBMQLUKXECQ-GIVPXCGWSA-N
|
||||||||||||||||||
| CAS |
362505-84-8
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Clinical Information about the Compound
Drug 1 ( Relacatib )
| Drug Name | Relacatib | ||
|---|---|---|---|
| Company | GlaxoSmithKline | ||
| Indication | |||
| Target(s) |
Cathepsin K (CTSK)
Inhibitor
|
||