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Compound Detail

CHEMBL4202823

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COc1cccc(-n2cc(C(=O)NCCc3ccc(O)cc3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4202823
Phase Preclinical
Structure Type MOL
InChI Key BEPDJUORYFSLEY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
1.95
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O3
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
29198862 10.1016/j.bmcl.2017.11.039 Paracoccus sp. 1
29198862 10.1016/j.bmcl.2017.11.039 Pseudoalteromonas lipolytica 1
29198862 10.1016/j.bmcl.2017.11.039 Pseudoalteromonas ulvae 1

Data from ChEMBL 36 via Core Engine