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Compound Detail

CHEMBL5094210

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CCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094210
Phase Preclinical
Structure Type MOL
InChI Key LQQWHSCJNAKNFN-FPLPWBNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
7.23
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38O4
MW 414.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.49

Literature References

PubMed DOI Target Context # Activities
33860662 10.1021/acs.jmedchem.1c00085 MDA-MB-231 1
33860662 10.1021/acs.jmedchem.1c00085 MCF7 1

Data from ChEMBL 36 via Core Engine