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Compound Detail

CHEMBL4458090

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CN(C)CCOc1ccc(CCn2cc(-c3cccc(-c4cn(CCc5ccc(OCCN(C)C)c(Br)c5)nn4)c3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458090
Phase Preclinical
Structure Type MOL
InChI Key VHDULWPDBGICLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

752.6
MW (Da)
6.09
ALogP
10
HBA
0
HBD
86.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H40Br2N8O2
MW 752.56
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -0.82

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