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Compound Detail

CHEMBL2392398

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CC(=O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2392398
Phase Preclinical
Structure Type MOL
InChI Key VYKLRWGPNUVKNC-HNSJSBKASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
1.84
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H20O3
MW 224.30
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 3.27

Literature References

PubMed DOI Target Context # Activities
29254644 10.1016/j.bmcl.2017.12.014 Unchecked 2
30057155 10.1016/j.bmc.2018.07.025 HT-29 2
23642481 10.1016/j.bmcl.2013.04.013 3T3-L1 1
23642481 10.1016/j.bmcl.2013.04.013 Pancreatic triacylglycerol lipase 1
30057155 10.1016/j.bmc.2018.07.025 MDA-MB-231 1
30057155 10.1016/j.bmc.2018.07.025 MDA-MB-435 1
30057155 10.1016/j.bmc.2018.07.025 OVCAR-3 1
30057155 10.1016/j.bmc.2018.07.025 Transcription factor p65 1

Data from ChEMBL 36 via Core Engine