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Compound Detail

CHEMBL231022

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N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3CCCC(O)C3)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231022
Phase Preclinical
Structure Type MOL
InChI Key QNLJRFYLUCEZRA-DETIRCLXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

569.7
MW (Da)
2.55
ALogP
11
HBA
6
HBD
178.8
PSA (Ų)
0.20
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 C30H35N9O3
MW 569.67
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.86

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine