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Compound Detail

CHEMBL436502

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CN(C)CCCNC(=O)CO[C@H]1C(O)[C@@H](OCSc2ccnc3cc(C(F)(F)F)ccc23)C(N)C[C@H]1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436502
Phase Preclinical
Structure Type MOL
InChI Key ODQYVYHOFMVCAB-KNZXZDMCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
1.56
ALogP
9
HBA
4
HBD
136.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34F3N5O4S
MW 545.63
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.68

Activity Summary

Kd 1 meas.

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