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Compound Detail

CHEMBL326406

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COc1cc2c(cc1CO)CC[C@H]1[C@](C)(CO)[C@H](O)CC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326406
Phase Preclinical
Structure Type MOL
InChI Key OHZUHAHPIDQSNL-MKXGPGLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
2.16
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28O4
MW 320.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.25

Literature References

PubMed DOI Target Context # Activities
8246219 10.1021/jm00075a003 Vero 3
8246219 10.1021/jm00075a003 MRC5 2

Data from ChEMBL 36 via Core Engine