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Compound Detail

CHEMBL230513

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NC(=O)C1CCN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230513
Phase Preclinical
Structure Type MOL
InChI Key KWCQZDGQXCEFQV-KDURUIRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

581.1
MW (Da)
1.79
ALogP
11
HBA
6
HBD
201.6
PSA (Ų)
0.22
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33ClN10O3
MW 581.08
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.41

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