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Compound Detail

CHEMBL261309

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C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCNCC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL261309
Phase Preclinical
Structure Type MOL
InChI Key SFYIAMCXYRXIHH-MLOZCSCMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.7
MW (Da)
4.38
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43NO4S
MW 477.71
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.71

Activity Summary

Kd 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 8.12 8.12 7.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 7.5 nM 8.12 Displacement of [3H]SB-2587891 from Escherichia coli ribosomes 17360517

Literature References

PubMed DOI Target Context # Activities
17360517 10.1073/pnas.0700041104 Unchecked 1

Data from ChEMBL 36 via Core Engine