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Compound Detail

CHEMBL4461484

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CN(C)CCCOc1ccc(CCn2cc(CCCCCCc3cn(CCc4ccc(OCCCN(C)C)c(Br)c4)nn3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461484
Phase Preclinical
Structure Type MOL
InChI Key KIWOAQLILXUVDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

788.7
MW (Da)
6.89
ALogP
10
HBA
0
HBD
86.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H52Br2N8O2
MW 788.67
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
30600205 10.1016/j.bmcl.2018.12.047 Pseudoalteromonas ulvae 2
30600205 10.1016/j.bmcl.2018.12.047 Pseudoalteromonas lipolytica 2
30600205 10.1016/j.bmcl.2018.12.047 Paracoccus sp. 2

Data from ChEMBL 36 via Core Engine