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Compound Detail

CHEMBL4454910

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COc1ccc(CCn2cc(CNCc3cn(CCc4ccc(OC)c(Br)c4)nn3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454910
Phase Preclinical
Structure Type MOL
InChI Key YVOUKSHBJJGXHF-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

605.3
MW (Da)
4.19
ALogP
9
HBA
1
HBD
91.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27Br2N7O2
MW 605.34
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.88

Activity Summary

EC50 3 meas.

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