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Compound Detail

CHEMBL4469911

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Cc1ccc(/C=C(\C(=O)O)C(C)C)c2c1CC[C@@H](C(C)(C)O)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469911
Phase Preclinical
Structure Type MOL
InChI Key OENWNCIXTGHZLR-IZNAZMGOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.36
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H26O5
MW 346.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
30485090 10.1021/acs.jnatprod.8b00482 A549 1
30485090 10.1021/acs.jnatprod.8b00482 HL-60 1
30485090 10.1021/acs.jnatprod.8b00482 SGC-7901 1

Data from ChEMBL 36 via Core Engine