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Compound Detail

CHEMBL118970

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

Basic Information

ChEMBL ID CHEMBL118970
Phase Preclinical
Structure Type MOL
InChI Key TVXQELYLFUZAPR-OKZBNKHCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
2.89
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.78
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 C18H26O3
MW 290.40
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.54

Activity Summary

EC50 1 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