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Compound Detail

CHEMBL4440807

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CN(C)CCCOc1ccc(CCn2cc(CNCc3cn(CCc4ccc(OCCCN(C)C)c(Br)c4)nn3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440807
Phase Preclinical
Structure Type MOL
InChI Key JNMMOESCCBSBKI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

747.6
MW (Da)
4.83
ALogP
11
HBA
1
HBD
98.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H45Br2N9O2
MW 747.58
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.89

Activity Summary

EC50 1 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