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Compound Detail

CHEMBL331553

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COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)c(CO)cc3CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331553
Phase Preclinical
Structure Type MOL
InChI Key NJGVQZYMPBBZCL-MISYRCLQSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.37
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.86
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 C20H28O4
MW 332.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.01

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8246219 10.1021/jm00075a003 Human alphaherpesvirus 2 1
8246219 10.1021/jm00075a003 DNA polymerase alpha catalytic subunit 1
8246219 10.1021/jm00075a003 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine