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Compound Detail

CHEMBL1304977

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COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1304977
Phase Preclinical
Structure Type MOL
InChI Key CTKBDPPSXIVRIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.35
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO4
MW 285.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
32686940 10.1021/acs.jmedchem.0c00530 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine