General Information of the Compound
| Compound ID |
CP0173249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl)-butylcarbamoyl]-oxirane-2-carboxylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-Oxiranecarboxylicacid,3-[[[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]amino]carbonyl]-,ethyl ester, (2S,3S)-
AC1L95AQ
Aloxistatin
Aloxistatin [INN]
Aloxistatina
Aloxistatina [Spanish]
Aloxistatine
Aloxistatine [French]
Aloxistatinum
Aloxistatinum [Latin]
BRN 5354546
C17H30N2O5
CCRIS 1934
CHEMBL1978255
CHEMBL63440
CTK8C9289
E 64c ethyl ester
E 64d
E-64D
E64D
E64d
EP 453
EST
EST (pharmaceutical)
L5W337AOUR
Loxistatin
MLS000028372
NCI60_033765
NSC 694281
NSC-694281
NSC694281
SCHEMBL254426
SMR000058552
UNII-L5W337AOUR
VC30685
ethyl (2S,3S)-3-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
ethyl(2s,3s)-3-[[1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H30N2O5
|
||||||||||||||||||
| Molecular Weight |
342.436
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRVFFFJZQVENJC-IHRRRGAJSA-N
|
||||||||||||||||||
| CAS |
207396-71-2
88321-09-9
|
||||||||||||||||||
| 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 | |||||||||||||||||||
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: PT01629, Cathepsin G
Protein ID: PT06109, Geminin
Clinical Information about the Compound
Drug 1 ( Aloxistatin )
| Drug Name | Aloxistatin | ||
|---|---|---|---|
| Indication | |||
| Target(s) | |||