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Compound Detail

CHEMBL4442986

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CN(C)CCOc1ccc(CCn2cc(CNCc3cn(CCc4ccc(OCCN(C)C)c(Br)c4)nn3)nn2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442986
Phase Preclinical
Structure Type MOL
InChI Key IKEQOJIZHNWJSE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

719.5
MW (Da)
4.05
ALogP
11
HBA
1
HBD
98.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H41Br2N9O2
MW 719.53
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.94

Activity Summary

EC50 2 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