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Compound Detail

CHEMBL4060641

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C[C@]12CC[C@@H]3C4=C(CC[C@H]3C1=CC[C@@H]2C1=CC(=O)OC1)C[C@@H](OC=O)CC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060641
Phase Preclinical
Structure Type MOL
InChI Key SOBQFNJUENFMJC-QCEWRBEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.26
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28O4
MW 368.47
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.04

Literature References

PubMed DOI Target Context # Activities
27983842 10.1021/acs.jnatprod.6b00924 HT-29 1

Data from ChEMBL 36 via Core Engine