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Compound Detail

CHEMBL3248507

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CCCSC[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3248507
Phase Preclinical
Structure Type MOL
InChI Key JWLKSXNQUFIINT-YEZKRMTDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
0.01
ALogP
5
HBA
4
HBD
115.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N3O4S
MW 327.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.51

Activity Summary

Ki 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bacterial 70S ribosome
CHEMBL2363135
 Ki 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bacterial 70S ribosome Ki = 1100.0 nM 5.96 Competitive inhibition of peptidyl transferase activity of Escherichia coli ribo... 340693

Literature References

PubMed DOI Target Context # Activities
340693 10.1021/jm00200a006 Bacterial 70S ribosome 1

Data from ChEMBL 36 via Core Engine