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Compound Detail

CHEMBL236153

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COc1cccc(C(=N)Nc2cc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCN5CCOCC5)c(C(C)C)s4)n(C)c3)n(C)c2)c1

Basic Information

ChEMBL ID CHEMBL236153
Phase Preclinical
Structure Type MOL
InChI Key PXEQCJQDUHZWBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

675.8
MW (Da)
3.96
ALogP
11
HBA
5
HBD
167.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H41N9O5S
MW 675.82
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
17960927 10.1021/jm070831g Staphylococcus aureus 6
17960927 10.1021/jm070831g Mycolicibacterium fortuitum 1
17960927 10.1021/jm070831g Aspergillus niger 1
17960927 10.1021/jm070831g Candida albicans 1
17960927 10.1021/jm070831g Enterococcus faecalis 1
27060763 10.1016/j.ejmech.2016.03.064 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine