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Compound Detail

CHEMBL197808

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NC1C[C@@H](N)[C@@H](O)C(O)[C@H]1OCSc1ccnc2cc(C(F)(F)F)ccc12

Basic Information

ChEMBL ID CHEMBL197808
Phase Preclinical
Structure Type MOL
InChI Key IAWDEFIJAIUNGM-NFBVCUJYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
1.47
ALogP
7
HBA
4
HBD
114.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20F3N3O3S
MW 403.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.16

Activity Summary

Kd 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal RNA A-site
CHEMBL614640
Kd 4.46 4.46 35000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal RNA A-site Kd = 35000.0 nM 4.46 Dissociation constant against 16S rRNA A-site 16168642

Literature References

PubMed DOI Target Context # Activities
16168642 10.1016/j.bmcl.2005.08.027 Ribosomal RNA A-site 1
16168642 10.1016/j.bmcl.2005.08.027 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine