Salinosporamide E
Inhibitor information
- CovInDB Inhibitor
- CI000471
- Name
- Salinosporamide E
- Molecular Formula
- C16H23NO4
- Molecular Weight
- 293.36 g/mol
- Structure
-
- IUPAC Name
- (1R,4R,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxy-methyl]-5-methyl-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
- InChI
- InChI=1S/C16H23NO4/c1-3-7-11-13(19)17-16(14(20)21-15(11,16)2)12(18)10-8-5-4-6-9-10/h5,8,10-12,18H,3-4,6-7,9H2,1-2H3,(H,17,19)/t10-,11+,12+,15+,16+/m1/s1
- InChI Key
- UIVOURYCXDWHCU-BFPXCNAZSA-N
- Canonical SMILES
- CCC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
293.36 g/mol
Computed by RDKit
- logP
-
1.94
Computed by ALOGPS
- logS
-
-2.31
Computed by ALOGPS
- Heavy Atom Count
-
21
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
75.63 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.