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Compound Detail

CHEMBL4466800

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COc1ccc(CCn2cc(CCCc3cn(CCc4ccc(OC)c(Br)c4)nn3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466800
Phase Preclinical
Structure Type MOL
InChI Key HINKPZCPDHEFEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

604.4
MW (Da)
5.07
ALogP
8
HBA
0
HBD
79.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Br2N6O2
MW 604.35
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.66

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