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Compound Detail

CHEMBL3764867

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Cc1ccc2nc(-c3ccc(NC(=O)c4c(O)c5c(n(Cc6ccco6)c4=O)CCCC5)cc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764867
Phase Preclinical
Structure Type MOL
InChI Key LQIIEHHBRKMQHJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

511.6
MW (Da)
5.91
ALogP
7
HBA
2
HBD
97.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N3O4S
MW 511.60
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26807547 10.1016/j.ejmech.2015.12.030 Unchecked 2
26807547 10.1016/j.ejmech.2015.12.030 dengue virus type 2 1
26807547 10.1016/j.ejmech.2015.12.030 HepG2 1

Data from ChEMBL 36 via Core Engine