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Compound Detail

CHEMBL371634

SALINOSPORAMIDE B
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CC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371634
Name SALINOSPORAMIDE B
Phase Preclinical
Structure Type MOL
InChI Key SCJZQKFFYIGMCI-SHTIJGAHSA-N
4
Targets
10
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
0.91
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO4
MW 279.34
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.76

Activity Summary

IC50 10 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.8 6.698 16.0 5
Oryctolagus cuniculus
CHEMBL374
 IC50 7.57 6.56 27.0 3
HEK293
CHEMBL614818
 IC50 5.8 5.8 1600.0 1
RPMI-8226
CHEMBL614882
 IC50 5.21 5.21 6100.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 3.167 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 16.0 nM 7.8 Inhibition of chymotrypsin-like activity of yeast 20S proteasome 18939815
Unchecked IC50 = 26.0 nM 7.58 Inhibition of chymotrypsin-like activity of rabbit 20S proteasome 18939815
Oryctolagus cuniculus IC50 = 27.0 nM 7.57 Inhibition of chymotrypsin-like (CT-L) activity of rabbit 20S proteasome 15916417
Unchecked IC50 = 610.0 nM 6.21 Inhibition of trypsin-like activity of rabbit 20S proteasome 18939815
Oryctolagus cuniculus IC50 = 640.0 nM 6.19 Inhibition of trypsin-like (T-L) activity of rabbit 20S proteasome 15916417
Unchecked IC50 = 1040.0 nM 5.98 Inhibition of trypsin-like activity of yeast 20S proteasome 18939815
Oryctolagus cuniculus IC50 = 1200.0 nM 5.92 Inhibition of caspase-like (CA-L) activity of rabbit 20S proteasome 15916417
Unchecked IC50 = 1200.0 nM 5.92 Inhibition of caspase-like activity of rabbit 20S proteasome 18939815
HEK293 IC50 = 1600.0 nM 5.8 Inhibition of NF-kB activation in HEK293 cells 15916417
RPMI-8226 IC50 = 6100.0 nM 5.21 Cytotoxic activity against RPMI 8226 cells 15916417

Literature References

PubMed DOI Target Context # Activities
18939815 10.1021/jm800548b Unchecked 9
15916417 10.1021/jm048995+ Oryctolagus cuniculus 3
15916417 10.1021/jm048995+ RPMI-8226 1
15916417 10.1021/jm048995+ HEK293 1
18939815 10.1021/jm800548b No relevant target 1

Data from ChEMBL 36 via Core Engine