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Compound Detail

CHEMBL4451052

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Oc1ccc(CCn2cc(CCCc3cn(CCc4ccc(O)c(Br)c4)nn3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451052
Phase Preclinical
Structure Type MOL
InChI Key IAYYHURHKBJSQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

576.3
MW (Da)
4.47
ALogP
8
HBA
2
HBD
101.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24Br2N6O2
MW 576.29
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.51

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