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Compound Detail

CHEMBL299505

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C1=C[C@@H](C2CCCC2)OOC1

Basic Information

ChEMBL ID CHEMBL299505
Phase Preclinical
Structure Type MOL
InChI Key KYVUIZZDLHPMPM-VIFPVBQESA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

154.2
MW (Da)
2.06
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H14O2
MW 154.21
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.69

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15027875 10.1021/jm0305319 Homo sapiens 1
15027875 10.1021/jm0305319 Plasmodium falciparum 1
16297620 10.1016/j.bmcl.2005.10.101 Candida albicans 1
16297620 10.1016/j.bmcl.2005.10.101 Candida tropicalis 1
16297620 10.1016/j.bmcl.2005.10.101 Pichia kudriavzevii 1

Data from ChEMBL 36 via Core Engine