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Compound Detail

CHEMBL3597757

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COc1cc2cnc3c4cc5c(cc4ccc3c2cc1O)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597757
Phase Preclinical
Structure Type MOL
InChI Key ZCMNYBNYFRAPIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.98
ALogP
5
HBA
1
HBD
60.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H13NO4
MW 319.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
26026362 10.1016/j.bmcl.2015.05.031 HCT-116 1
26026362 10.1016/j.bmcl.2015.05.031 HL-60 1

Data from ChEMBL 36 via Core Engine