Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4241991

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)CC[C@@H](C1=C[C@@](C)(O)CCC1=O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4241991
Phase Preclinical
Structure Type MOL
InChI Key ZOEYQETWCHEROV-DOMZBBRYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.67
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.82
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 C15H24O3
MW 252.35
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.64

Literature References

PubMed DOI Target Context # Activities
30057155 10.1016/j.bmc.2018.07.025 HT-29 2
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