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Compound Detail

CHEMBL478807

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CC[C@H](C)CCC[C@H]1CCCCC(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478807
Phase Preclinical
Structure Type MOL
InChI Key FWCJVEHVQQNKBH-NWDGAFQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
3.69
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H24O2
MW 212.33
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
15043417 10.1021/np030321z HepG2 6
15043417 10.1021/np030321z NON-PROTEIN TARGET 2
15043417 10.1021/np030321z MCF7 2
15043417 10.1021/np030321z Bacillus subtilis 1
15043417 10.1021/np030321z Staphylococcus aureus 1
15043417 10.1021/np030321z Streptomyces viridochromogenes 1
15043417 10.1021/np030321z Escherichia coli 1
15043417 10.1021/np030321z Candida albicans 1
15043417 10.1021/np030321z Rhizomucor miehei 1
15043417 10.1021/np030321z Chlorella vulgaris 1
15043417 10.1021/np030321z Chlorella sorokiniana 1
15043417 10.1021/np030321z Desmodesmus subspicatus 1
15043417 10.1021/np030321z Artemia salina 1
35063731 10.1016/j.ejmech.2022.114117 MCF7 1
35063731 10.1016/j.ejmech.2022.114117 Unchecked 1
35063731 10.1016/j.ejmech.2022.114117 HepG2 1

Data from ChEMBL 36 via Core Engine