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Compound Detail

CHEMBL3597751

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COc1c(O)ccc2c[n+](C)c3c4cc5c(cc4ccc3c12)OCO5.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597751
Phase Preclinical
Structure Type MOL
InChI Key FZPFPVCPLFKGPP-UHFFFAOYSA-N
Parent Compound CHEMBL3598261
Active Moiety CHEMBL3598261
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.41
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClNO4
MW 369.80
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 1.30

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