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Compound Detail

CHEMBL170190

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CC(C)=CCC/C(C)=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170190
Phase Preclinical
Structure Type MOL
InChI Key ZHYZQXUYZJNEHD-VQHVLOKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
2.76
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.52
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 C10H16O2
MW 168.24
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 2.42

Literature References

PubMed DOI Target Context # Activities
31678743 10.1016/j.ejmech.2019.111810 Staphylococcus aureus 3
11958988 10.1016/s0960-894x(02)00038-0 Candida albicans 2
31678743 10.1016/j.ejmech.2019.111810 Escherichia coli 2
31678743 10.1016/j.ejmech.2019.111810 Pseudomonas aeruginosa 2
31678743 10.1016/j.ejmech.2019.111810 Staphylococcus epidermidis 1
31678743 10.1016/j.ejmech.2019.111810 Enterococcus hirae 1
37235809 10.1021/acs.jmedchem.3c00398 Mycolicibacterium smegmatis 1
37235809 10.1021/acs.jmedchem.3c00398 Mycobacterium tuberculosis 1
37235809 10.1021/acs.jmedchem.3c00398 Cell membrane 1

Data from ChEMBL 36 via Core Engine