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Compound Detail

CHEMBL4449367

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COc1ccc(CCn2cc(-c3cccc(-c4cn(CCc5ccc(OC)c(Br)c5)nn4)c3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449367
Phase Preclinical
Structure Type MOL
InChI Key NPTKHBKZFDNSMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

638.4
MW (Da)
6.23
ALogP
8
HBA
0
HBD
79.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26Br2N6O2
MW 638.36
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.74

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