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Compound Detail

CHEMBL4556828

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C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCCCN=[N+]=[N-])=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556828
Phase Preclinical
Structure Type MOL
InChI Key YWCFDTCBMVZYIG-ATWMFIQVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
4.44
ALogP
4
HBA
1
HBD
86.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H19N3O2S
MW 293.39
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.68

Activity Summary

Kd 1 meas.

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 Mycobacterium tuberculosis 1
27187871 10.1021/acs.jmedchem.6b00236 Yersinia pestis 1
27187871 10.1021/acs.jmedchem.6b00236 Francisella tularensis 1

Data from ChEMBL 36 via Core Engine