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Compound Detail

CHEMBL119038

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

Basic Information

ChEMBL ID CHEMBL119038
Phase Preclinical
Structure Type MOL
InChI Key MLZDDBJEUQFMCL-BHIYHBOVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.28
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.90
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 C19H26O4
MW 318.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.12

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