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Compound Detail

CHEMBL574855

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CN(CCCNC(=O)c1ccc(O)cc1)CCCNC(=O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574855
Phase Preclinical
Structure Type MOL
InChI Key MLMDZCUCOJHCMP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
1.97
ALogP
5
HBA
4
HBD
101.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O4
MW 385.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.51

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19739651 10.1021/jm900652e Dengue virus 1

Data from ChEMBL 36 via Core Engine