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Compound Detail

CHEMBL467340

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Cc1ccc2ccc(C(=O)NCCCNC(=O)c3ccc4ccc(C)nc4c3O)c(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467340
Phase Preclinical
Structure Type MOL
InChI Key YLORZWZIAPQLEK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
3.36
ALogP
6
HBA
4
HBD
124.4
PSA (Ų)
0.34
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 C25H24N4O4
MW 444.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18342517 10.1016/j.bmc.2008.02.065 No relevant target 1
18342517 10.1016/j.bmc.2008.02.065 Spinacia oleracea 1
18342517 10.1016/j.bmc.2008.02.065 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine