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Compound Detail

CHEMBL395260

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N[C@@H]1C[C@H](O)CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@@H](N)C[C@@H](O)C3)n2)C1

Basic Information

ChEMBL ID CHEMBL395260
Phase Preclinical
Structure Type MOL
InChI Key XDKLJWAMXHTOBD-ZIIYYELXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

585.7
MW (Da)
1.52
ALogP
12
HBA
7
HBD
199.0
PSA (Ų)
0.17
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N9O4
MW 585.67
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Escherichia coli
CHEMBL354
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Escherichia coli IC50 = 100000.0 nM 4.0 Inhibition of protein synthesis in Escherichia coli by coupled transcription-tra... 17188860

Literature References

PubMed DOI Target Context # Activities
17188860 10.1016/j.bmcl.2006.12.024 Escherichia coli 1

Data from ChEMBL 36 via Core Engine