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Compound Detail

CHEMBL5201271

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

Basic Information

ChEMBL ID CHEMBL5201271
Phase Preclinical
Structure Type MOL
InChI Key WYIQMUBDUBUXIZ-JVEFBBRISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

304.5
MW (Da)
5.01
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32O2
MW 304.47
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.61

Literature References

PubMed DOI Target Context # Activities
34852194 10.1021/acs.jnatprod.1c00901 MDA-MB-231 1
34852194 10.1021/acs.jnatprod.1c00901 HT-29 1
34852194 10.1021/acs.jnatprod.1c00901 Huh-7 1
34852194 10.1021/acs.jnatprod.1c00901 NCI-H460 1
34852194 10.1021/acs.jnatprod.1c00901 A549 1
34852194 10.1021/acs.jnatprod.1c00901 MDA-MB-435 1

Data from ChEMBL 36 via Core Engine