Salinosporamide B
Inhibitor information
- CovInDB Inhibitor
- CI000448
- Name
- Salinosporamide B
- Molecular Formula
- C15H21NO4
- Molecular Weight
- 279.33 g/mol
- Structure
-
- IUPAC Name
- (1R,4R,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxy-methyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
- InChI
- InChI=1S/C15H21NO4/c1-3-10-12(18)16-15(13(19)20-14(10,15)2)11(17)9-7-5-4-6-8-9/h5,7,9-11,17H,3-4,6,8H2,1-2H3,(H,16,18)/t9-,10+,11+,14+,15+/m1/s1
- InChI Key
- SCJZQKFFYIGMCI-SHTIJGAHSA-N
- Canonical SMILES
- CC[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
-
279.33 g/mol
Computed by RDKit
- logP
-
1.52
Computed by ALOGPS
- logS
-
-2.06
Computed by ALOGPS
- Heavy Atom Count
-
20
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
-
3
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 |
|---|
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.