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Compound Detail

CHEMBL334229

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C[C@@]1(CO)[C@@H](O)CC[C@]2(C)c3cc(O)ccc3CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334229
Phase Preclinical
Structure Type MOL
InChI Key MKVVTIURJHUNFY-TWMKSMIVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
2.37
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24O3
MW 276.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.48

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