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Compound Detail

CHEMBL3037954

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NC[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3OC(CSCCOCCSCC(O)CN4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(CC(O)CSCCOCCSC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]5O[C@H]5O[C@H](CN)[C@@H](O)[C@H](O)[C@H]5N)[C@H](O)[C@@H]4O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)C6=O)[C@@H](O[C@@H]4O[C@H](CN)[C@H](O)C(O)[C@H]4N)[C@H]3O)[C@@H](O)[C@@H](N)C[C@@H]2N)[C@@H](N)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3037954
Phase Preclinical
Structure Type MOL
InChI Key SMCKDSQNRQRQFB-DSRPGNNMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1848.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C74H122N14O32S4
MW 1848.12

Activity Summary

Kd 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 10.0 nM 8.0 Dissociation constant with dimeric 16S rRNA RNA construct B 11677142

Literature References

PubMed DOI Target Context # Activities
11677142 10.1016/s0960-894x(01)00602-3 Unchecked 1

Data from ChEMBL 36 via Core Engine