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

CHEMBL75294

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
COc1ccc2c(c1)CC=C1C=C(C(=O)O)CCC12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75294
Phase Preclinical
Structure Type MOL
InChI Key PGQNOHQIBCQWIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.24
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O3
MW 270.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.28

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)85034-8 3-oxo-5-alpha-steroid 4-dehydrogenase 2 2
- 10.1016/0960-894X(94)85034-8 3-oxo-5-alpha-steroid 4-dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine