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Compound Detail

CHEMBL231187

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Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4CCC(C(N)=O)CC4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231187
Phase Preclinical
Structure Type MOL
InChI Key WGTPOZIAXANDMR-WMPKNSHKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

686.8
MW (Da)
2.59
ALogP
12
HBA
5
HBD
209.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H42N10O4S
MW 686.84
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness -1.39

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