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Compound Detail

CHEMBL2303630

SPARSOMYCIN
🧪 Phase II
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🧪 Phase II
CSC[S@@+]([O-])CC(CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2303630
Name SPARSOMYCIN
Phase Phase II
Structure Type MOL
InChI Key XKLZIVIOZDNKEQ-CKIHNWHUSA-N

Known Names

Esparsomicina NSC-59729 Sparsomycin Sparsomycine U-19183
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
15
Publications
5
Known Names

Molecular Properties

361.4
MW (Da)
-1.07
ALogP
6
HBA
4
HBD
138.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -mycin
USAN Year 1962

Extended Properties

Molecular Formula C13H19N3O5S2
MW 361.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 5.16
Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bacterial 70S ribosome
CHEMBL2363135
 Ki 6.3 6.3 500.0 1
Unchecked
CHEMBL612545
 IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bacterial 70S ribosome Ki = 500.0 nM 6.3 Competitive inhibition of peptidyl transferase activity of Escherichia coli ribo... 340693
Unchecked IC50 = 7000.0 nM 5.16 Selectivity ratio of IC50 for rabbit reticulocyte 50S ribosomal subunit to IC50 ... 18663023

Literature References

PubMed DOI Target Context # Activities
8487260 10.1021/jm00061a015 Escherichia coli 10
8487260 10.1021/jm00061a015 ADMET 3
18663023 10.1128/aac.01193-07 Unchecked 3
18951792 10.1016/j.bmcl.2008.10.014 Haemophilus influenzae 2
340693 10.1021/jm00200a006 Bacterial 70S ribosome 2
6415284 10.1021/jm00365a003 P388 1
6415284 10.1021/jm00365a003 Osteoclast-like 1
18951792 10.1016/j.bmcl.2008.10.014 Escherichia coli 1
18951792 10.1016/j.bmcl.2008.10.014 Streptococcus pneumoniae 1
18951792 10.1016/j.bmcl.2008.10.014 Streptococcus pyogenes 1
18951792 10.1016/j.bmcl.2008.10.014 Enterococcus faecalis 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
20118940 10.1038/nchembio.304 Elongation factor 1-alpha 1 1
36926864 10.1021/acs.jnatprod.2c01087 Unchecked 1
36926864 10.1021/acs.jnatprod.2c01087 NFF 1

Data from ChEMBL 36 via Core Engine