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Compound Detail

CHEMBL4532925

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C=C/C(C)=C/[C@@]1(C)SC(=O)C(C(=O)CCCCCCCCCCCCCCC)=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4532925
Phase Preclinical
Structure Type MOL
InChI Key BXTFPGYLXAYJLF-QEBGPUIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

434.7
MW (Da)
8.01
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.14
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H42O3S
MW 434.69
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
27187871 10.1021/acs.jmedchem.6b00236 3-oxoacyl-[acyl-carrier-protein] synthase 2 2
27187871 10.1021/acs.jmedchem.6b00236 Staphylococcus aureus 2
27187871 10.1021/acs.jmedchem.6b00236 Francisella tularensis 1
27187871 10.1021/acs.jmedchem.6b00236 Mycobacterium tuberculosis 1
27187871 10.1021/acs.jmedchem.6b00236 Burkholderia pseudomallei 1
27187871 10.1021/acs.jmedchem.6b00236 Yersinia pestis 1

Data from ChEMBL 36 via Core Engine