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Compound Detail

CHEMBL3344136

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COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3344136
Phase Preclinical
Structure Type MOL
InChI Key HYVRAAATKIOUPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
4.66
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.39
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 C23H25ClN2O3
MW 412.92
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
25304894 10.1016/j.bmcl.2014.09.015 HeLa 1

Data from ChEMBL 36 via Core Engine